4-chloro-6-methyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide

C9H8ClN5O — CID 103803573

IUPAC4-chloro-6-methyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2ncn[nH]2)cn1
InChIInChI=1S/C9H8ClN5O/c1-5-2-7(10)6(3-11-5)8(16)14-9-12-4-13-15-9/h2-4H,1H3,(H2,12,13,14,15,16)
InChIKeyBZWJVYITVJJUQF-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.41
Rot. Bonds2

About 4-chloro-6-methyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide

4-chloro-6-methyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide (PubChem CID 103803573) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-6-methyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide
PubChem CID103803573
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC Name4-chloro-6-methyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2ncn[nH]2)cn1
InChIInChI=1S/C9H8ClN5O/c1-5-2-7(10)6(3-11-5)8(16)14-9-12-4-13-15-9/h2-4H,1H3,(H2,12,13,14,15,16)
InChIKeyBZWJVYITVJJUQF-UHFFFAOYSA-N
XLogP1.41
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-6-methyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide (CID 103803573) is 4-chloro-6-methyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-6-methyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-6-methyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)Nc2ncn[nH]2)cn1.
What is the InChIKey of 4-chloro-6-methyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide?
The InChIKey is BZWJVYITVJJUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O/c1-5-2-7(10)6(3-11-5)8(16)14-9-12-4-13-15-9/h2-4H,1H3,(H2,12,13,14,15,16).
What are the key properties of 4-chloro-6-methyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide?
4-chloro-6-methyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide has a molecular weight of 237.65 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 103803573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).