6-chloro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]pyridin-3-amine

C10H12ClN5 — CID 107266310

IUPAC6-chloro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]pyridin-3-amine
SMILESCc1nc(Cl)ccc1NCc1cnnn1C
InChIInChI=1S/C10H12ClN5/c1-7-9(3-4-10(11)14-7)12-5-8-6-13-15-16(8)2/h3-4,6,12H,5H2,1-2H3
InChIKeyIKBOJBSXLRVHLZ-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.78
Rot. Bonds3

About 6-chloro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]pyridin-3-amine

6-chloro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]pyridin-3-amine (PubChem CID 107266310) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]pyridin-3-amine
PubChem CID107266310
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name6-chloro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]pyridin-3-amine
SMILESCc1nc(Cl)ccc1NCc1cnnn1C
InChIInChI=1S/C10H12ClN5/c1-7-9(3-4-10(11)14-7)12-5-8-6-13-15-16(8)2/h3-4,6,12H,5H2,1-2H3
InChIKeyIKBOJBSXLRVHLZ-UHFFFAOYSA-N
XLogP1.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.78
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 6-chloro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-chloro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]pyridin-3-amine (CID 107266310) is 6-chloro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-chloro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]pyridin-3-amine is Cc1nc(Cl)ccc1NCc1cnnn1C.
What is the InChIKey of 6-chloro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]pyridin-3-amine?
The InChIKey is IKBOJBSXLRVHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-7-9(3-4-10(11)14-7)12-5-8-6-13-15-16(8)2/h3-4,6,12H,5H2,1-2H3.
What are the key properties of 6-chloro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]pyridin-3-amine?
6-chloro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]pyridin-3-amine has a molecular weight of 237.69 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 107266310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).