N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]formamide

C9H6N6O — CID 164599964

IUPACN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]formamide
SMILESN#Cc1cc(NC=O)cnc1-n1nccn1
InChIInChI=1S/C9H6N6O/c10-4-7-3-8(12-6-16)5-11-9(7)15-13-1-2-14-15/h1-3,5-6H,(H,12,16)
InChIKeyDOJKMBATQUXOQF-UHFFFAOYSA-N
MW214.19 g/mol
LogP0.10
Rot. Bonds3

About N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]formamide

N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]formamide (PubChem CID 164599964) has the molecular formula C9H6N6O and a molecular weight of 214.19 g/mol. Its IUPAC name is N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]formamide.

Molecular Properties

Compound NameN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]formamide
PubChem CID164599964
Molecular FormulaC9H6N6O
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC NameN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]formamide
SMILESN#Cc1cc(NC=O)cnc1-n1nccn1
InChIInChI=1S/C9H6N6O/c10-4-7-3-8(12-6-16)5-11-9(7)15-13-1-2-14-15/h1-3,5-6H,(H,12,16)
InChIKeyDOJKMBATQUXOQF-UHFFFAOYSA-N
XLogP0.10
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]formamide?
The IUPAC name of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]formamide (CID 164599964) is N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]formamide.
What is the SMILES notation for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]formamide?
The canonical SMILES for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]formamide is N#Cc1cc(NC=O)cnc1-n1nccn1.
What is the InChIKey of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]formamide?
The InChIKey is DOJKMBATQUXOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N6O/c10-4-7-3-8(12-6-16)5-11-9(7)15-13-1-2-14-15/h1-3,5-6H,(H,12,16).
What are the key properties of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]formamide?
N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]formamide has a molecular weight of 214.19 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]formamide is sourced from PubChem (CID 164599964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).