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Pyrimidine-4-carbohydrazide

CAT: 0127-OR93722-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR93722-01Size:250 mg
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CAS Number
39513-54-7
MDL Number
MFCD06738862
Purity
97%
Smiles
O=C(C1=NC=NC=C1)NN

Chemical Information

Pyrimidine-4-carbohydrazide
CAS Number39513-54-7
PubChem CID468664
IUPAC Namepyrimidine-4-carbohydrazide
Molecular FormulaC5H6N4O
Molecular Weight138.13
XLogP-1
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity127
SMILES
C1=CN=CN=C1C(=O)NN
InChI
InChI=1S/C5H6N4O/c6-9-5(10)4-1-2-7-3-8-4/h1-3H,6H2,(H,9,10)
InChIKey
NWTQBXDLKZTWAH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrimidine-4-carbohydrazide
CAS: 39513-54-7
CID: 468664
Formula: C5H6N4O
MW: 138.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight138.13
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass138.05416083
Monoisotopic Mass138.05416083
Topological Polar Surface Area80.9 Ų
Heavy Atom Count10
Formal Charge0
Complexity127
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes