1H-1,4,7-triazonine-2-carboxamide

C7H8N4O — CID 143300427

IUPAC1H-1,4,7-triazonine-2-carboxamide
SMILESNC(=O)c1cnccncc[nH]1
InChIInChI=1S/C7H8N4O/c8-7(12)6-5-10-2-1-9-3-4-11-6/h1-5,11H,(H2,8,12)/b4-3-,6-5-,9-1-,10-2-
InChIKeyVKYQDKJVCUKVAV-IXGGWVDNSA-N
MW164.17 g/mol
LogP0.03
Rot. Bonds1

About 1H-1,4,7-triazonine-2-carboxamide

1H-1,4,7-triazonine-2-carboxamide (PubChem CID 143300427) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 1H-1,4,7-triazonine-2-carboxamide.

Molecular Properties

Compound Name1H-1,4,7-triazonine-2-carboxamide
PubChem CID143300427
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name1H-1,4,7-triazonine-2-carboxamide
SMILESNC(=O)c1cnccncc[nH]1
InChIInChI=1S/C7H8N4O/c8-7(12)6-5-10-2-1-9-3-4-11-6/h1-5,11H,(H2,8,12)/b4-3-,6-5-,9-1-,10-2-
InChIKeyVKYQDKJVCUKVAV-IXGGWVDNSA-N
XLogP0.03
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-1,4,7-triazonine-2-carboxamide?
The IUPAC name of 1H-1,4,7-triazonine-2-carboxamide (CID 143300427) is 1H-1,4,7-triazonine-2-carboxamide.
What is the SMILES notation for 1H-1,4,7-triazonine-2-carboxamide?
The canonical SMILES for 1H-1,4,7-triazonine-2-carboxamide is NC(=O)c1cnccncc[nH]1.
What is the InChIKey of 1H-1,4,7-triazonine-2-carboxamide?
The InChIKey is VKYQDKJVCUKVAV-IXGGWVDNSA-N. The full InChI is InChI=1S/C7H8N4O/c8-7(12)6-5-10-2-1-9-3-4-11-6/h1-5,11H,(H2,8,12)/b4-3-,6-5-,9-1-,10-2-.
What are the key properties of 1H-1,4,7-triazonine-2-carboxamide?
1H-1,4,7-triazonine-2-carboxamide has a molecular weight of 164.17 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,4,7-triazonine-2-carboxamide is sourced from PubChem (CID 143300427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).