1H-diazete-2-carboxylic acid;molybdenum

C3H4MoN2O2 — CID 87878776

IUPAC1H-diazete-2-carboxylic acid;molybdenum
SMILESO=C(O)n1cc[nH]1.[Mo]
InChIInChI=1S/C3H4N2O2.Mo/c6-3(7)5-2-1-4-5;/h1-2,4H,(H,6,7);
InChIKeyCXHBKHAQIAJJFV-UHFFFAOYSA-N
MW196.02 g/mol
LogP0.34
Rot. Bonds

About 1H-diazete-2-carboxylic acid;molybdenum

1H-diazete-2-carboxylic acid;molybdenum (PubChem CID 87878776) has the molecular formula C3H4MoN2O2 and a molecular weight of 196.02 g/mol. Its IUPAC name is 1H-diazete-2-carboxylic acid;molybdenum.

Molecular Properties

Compound Name1H-diazete-2-carboxylic acid;molybdenum
PubChem CID87878776
Molecular FormulaC3H4MoN2O2
Molecular Weight196.02 g/mol
Exact Mass197.93
IUPAC Name1H-diazete-2-carboxylic acid;molybdenum
SMILESO=C(O)n1cc[nH]1.[Mo]
InChIInChI=1S/C3H4N2O2.Mo/c6-3(7)5-2-1-4-5;/h1-2,4H,(H,6,7);
InChIKeyCXHBKHAQIAJJFV-UHFFFAOYSA-N
XLogP0.34
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.02
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-diazete-2-carboxylic acid;molybdenum?
The IUPAC name of 1H-diazete-2-carboxylic acid;molybdenum (CID 87878776) is 1H-diazete-2-carboxylic acid;molybdenum.
What is the SMILES notation for 1H-diazete-2-carboxylic acid;molybdenum?
The canonical SMILES for 1H-diazete-2-carboxylic acid;molybdenum is O=C(O)n1cc[nH]1.[Mo].
What is the InChIKey of 1H-diazete-2-carboxylic acid;molybdenum?
The InChIKey is CXHBKHAQIAJJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O2.Mo/c6-3(7)5-2-1-4-5;/h1-2,4H,(H,6,7);.
What are the key properties of 1H-diazete-2-carboxylic acid;molybdenum?
1H-diazete-2-carboxylic acid;molybdenum has a molecular weight of 196.02 g/mol, XLogP of 0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-diazete-2-carboxylic acid;molybdenum is sourced from PubChem (CID 87878776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).