2-amino-6-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-4-carboxamide

C9H9ClN6O — CID 80716626

IUPAC2-amino-6-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-4-carboxamide
SMILESCn1ncnc1NC(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C9H9ClN6O/c1-16-9(12-4-13-16)15-8(17)5-2-6(10)14-7(11)3-5/h2-4H,1H3,(H2,11,14)(H,12,13,15,17)
InChIKeyMMEAUWZMQIUXBY-UHFFFAOYSA-N
MW252.66 g/mol
LogP0.70
Rot. Bonds2

About 2-amino-6-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-4-carboxamide

2-amino-6-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-4-carboxamide (PubChem CID 80716626) has the molecular formula C9H9ClN6O and a molecular weight of 252.66 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-4-carboxamide
PubChem CID80716626
Molecular FormulaC9H9ClN6O
Molecular Weight252.66 g/mol
Exact Mass252.05
IUPAC Name2-amino-6-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-4-carboxamide
SMILESCn1ncnc1NC(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C9H9ClN6O/c1-16-9(12-4-13-16)15-8(17)5-2-6(10)14-7(11)3-5/h2-4H,1H3,(H2,11,14)(H,12,13,15,17)
InChIKeyMMEAUWZMQIUXBY-UHFFFAOYSA-N
XLogP0.70
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-4-carboxamide (CID 80716626) is 2-amino-6-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-4-carboxamide is Cn1ncnc1NC(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-6-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-4-carboxamide?
The InChIKey is MMEAUWZMQIUXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN6O/c1-16-9(12-4-13-16)15-8(17)5-2-6(10)14-7(11)3-5/h2-4H,1H3,(H2,11,14)(H,12,13,15,17).
What are the key properties of 2-amino-6-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-4-carboxamide?
2-amino-6-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-4-carboxamide has a molecular weight of 252.66 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 80716626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).