CID 122549987

C4H7N2O3P — CID 122549987

IUPAC—
SMILES[H]/N=N/C(C)(C(C)=O)P(=O)=O
InChIInChI=1S/C4H7N2O3P/c1-3(7)4(2,6-5)10(8)9/h5H,1-2H3/b6-5+
InChIKeyXBHGNRIKUISSIJ-AATRIKPKSA-N
MW162.09 g/mol
LogP1.50
Rot. Bonds3

About CID 122549987

CID 122549987 (PubChem CID 122549987) has the molecular formula C4H7N2O3P and a molecular weight of 162.09 g/mol.

Molecular Properties

Compound NameCID 122549987
PubChem CID122549987
Molecular FormulaC4H7N2O3P
Molecular Weight162.09 g/mol
Exact Mass162.02
IUPAC Name—
SMILES[H]/N=N/C(C)(C(C)=O)P(=O)=O
InChIInChI=1S/C4H7N2O3P/c1-3(7)4(2,6-5)10(8)9/h5H,1-2H3/b6-5+
InChIKeyXBHGNRIKUISSIJ-AATRIKPKSA-N
XLogP1.50
TPSA87.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.09
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze CID 122549987 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetyl-3-diazenyl-2,2,4,4-tetramethylpentanedinitrile
CID 175022889
2,3-dimethylbutan-2-yldiazene
CID 130441706
CID 58312499
CID 58312499
4-imino-3,3-dimethylpentan-2-one
CID 118001965
2-diazenylpropane-1,2-diol
CID 174859273
1-diazenylpropane-1,1-diamine
CID 57165704
3-amino-3-methylbutan-2-one
CID 4913006
3,4-dihydroxy-3,4-dimethylhexane-2,5-dione
CID 538401
3-diazenyl-2,2,3,4,4-pentamethylpentanedinitrile
CID 174779390
N-imino-4,4-dimethylpentanamide
CID 118964364
tert-butyl 2-[ethanimidoyl(hydroxy)amino]acetate
CID 54160131
(Z)-3,3,4,5,6,6,7-heptamethyloct-4-en-2-one
CID 166508440

Frequently Asked Questions

What is the IUPAC name of CID 122549987?
The IUPAC name of CID 122549987 (CID 122549987) is not available.
What is the SMILES notation for CID 122549987?
The canonical SMILES for CID 122549987 is [H]/N=N/C(C)(C(C)=O)P(=O)=O.
What is the InChIKey of CID 122549987?
The InChIKey is XBHGNRIKUISSIJ-AATRIKPKSA-N. The full InChI is InChI=1S/C4H7N2O3P/c1-3(7)4(2,6-5)10(8)9/h5H,1-2H3/b6-5+.
What are the key properties of CID 122549987?
CID 122549987 has a molecular weight of 162.09 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 122549987 is sourced from PubChem (CID 122549987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).