2-chloro-5-(3,5-dimethyltriazol-4-yl)pyridin-3-amine

C9H10ClN5 — CID 118196468

IUPAC2-chloro-5-(3,5-dimethyltriazol-4-yl)pyridin-3-amine
SMILESCc1nnn(C)c1-c1cnc(Cl)c(N)c1
InChIInChI=1S/C9H10ClN5/c1-5-8(15(2)14-13-5)6-3-7(11)9(10)12-4-6/h3-4H,11H2,1-2H3
InChIKeyFHKJCFGIKQMMLE-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.42
Rot. Bonds1

About 2-chloro-5-(3,5-dimethyltriazol-4-yl)pyridin-3-amine

2-chloro-5-(3,5-dimethyltriazol-4-yl)pyridin-3-amine (PubChem CID 118196468) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 2-chloro-5-(3,5-dimethyltriazol-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-5-(3,5-dimethyltriazol-4-yl)pyridin-3-amine
PubChem CID118196468
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name2-chloro-5-(3,5-dimethyltriazol-4-yl)pyridin-3-amine
SMILESCc1nnn(C)c1-c1cnc(Cl)c(N)c1
InChIInChI=1S/C9H10ClN5/c1-5-8(15(2)14-13-5)6-3-7(11)9(10)12-4-6/h3-4H,11H2,1-2H3
InChIKeyFHKJCFGIKQMMLE-UHFFFAOYSA-N
XLogP1.42
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.42
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,5-dimethyltriazol-4-yl)pyridin-3-amine?
The IUPAC name of 2-chloro-5-(3,5-dimethyltriazol-4-yl)pyridin-3-amine (CID 118196468) is 2-chloro-5-(3,5-dimethyltriazol-4-yl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-5-(3,5-dimethyltriazol-4-yl)pyridin-3-amine?
The canonical SMILES for 2-chloro-5-(3,5-dimethyltriazol-4-yl)pyridin-3-amine is Cc1nnn(C)c1-c1cnc(Cl)c(N)c1.
What is the InChIKey of 2-chloro-5-(3,5-dimethyltriazol-4-yl)pyridin-3-amine?
The InChIKey is FHKJCFGIKQMMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-5-8(15(2)14-13-5)6-3-7(11)9(10)12-4-6/h3-4H,11H2,1-2H3.
What are the key properties of 2-chloro-5-(3,5-dimethyltriazol-4-yl)pyridin-3-amine?
2-chloro-5-(3,5-dimethyltriazol-4-yl)pyridin-3-amine has a molecular weight of 223.67 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,5-dimethyltriazol-4-yl)pyridin-3-amine is sourced from PubChem (CID 118196468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).