6-chloro-2-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine

C8H8ClN5 — CID 169253829

IUPAC6-chloro-2-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCn1cnnc1-c1nc(Cl)ccc1N
InChIInChI=1S/C8H8ClN5/c1-14-4-11-13-8(14)7-5(10)2-3-6(9)12-7/h2-4H,10H2,1H3
InChIKeyNLKNPTKIGRHZCT-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.11
Rot. Bonds1

About 6-chloro-2-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine

6-chloro-2-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine (PubChem CID 169253829) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is 6-chloro-2-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine
PubChem CID169253829
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name6-chloro-2-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCn1cnnc1-c1nc(Cl)ccc1N
InChIInChI=1S/C8H8ClN5/c1-14-4-11-13-8(14)7-5(10)2-3-6(9)12-7/h2-4H,10H2,1H3
InChIKeyNLKNPTKIGRHZCT-UHFFFAOYSA-N
XLogP1.11
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 62693888
6-chloro-2-(2-methyltetrazol-5-yl)pyridin-3-amine
CID 169253634
3-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 115395215
2-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 63188193
6-chloro-N,N-dimethyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridin-2-amine
CID 167421238
3-(3-chlorophenyl)-4-methyl-1,2,4-triazole
CID 79002375
5-(6-chloro-3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine
CID 169269980
2-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine
CID 166556278
2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 106993375
3-(4-bromophenyl)-4-methyl-1,2,4-triazole
CID 79014882
6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine
CID 115474047
2-(2,6-dichloro-3-pyridinyl)-5-methyltriazol-4-amine
CID 97057734

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The IUPAC name of 6-chloro-2-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine (CID 169253829) is 6-chloro-2-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The canonical SMILES for 6-chloro-2-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine is Cn1cnnc1-c1nc(Cl)ccc1N.
What is the InChIKey of 6-chloro-2-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The InChIKey is NLKNPTKIGRHZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c1-14-4-11-13-8(14)7-5(10)2-3-6(9)12-7/h2-4H,10H2,1H3.
What are the key properties of 6-chloro-2-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine?
6-chloro-2-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine has a molecular weight of 209.64 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine is sourced from PubChem (CID 169253829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).