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

C9H10ClN5 — CID 130747973

IUPAC6-chloro-N-[(2-methyltriazol-4-yl)methyl]pyridin-2-amine
SMILESCn1ncc(CNc2cccc(Cl)n2)n1
InChIInChI=1S/C9H10ClN5/c1-15-12-6-7(14-15)5-11-9-4-2-3-8(10)13-9/h2-4,6H,5H2,1H3,(H,11,13)
InChIKeyQBLKJUHGKOJNRP-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.48
Rot. Bonds3

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

6-chloro-N-[(2-methyltriazol-4-yl)methyl]pyridin-2-amine (PubChem CID 130747973) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 6-chloro-N-[(2-methyltriazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(2-methyltriazol-4-yl)methyl]pyridin-2-amine
PubChem CID130747973
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name6-chloro-N-[(2-methyltriazol-4-yl)methyl]pyridin-2-amine
SMILESCn1ncc(CNc2cccc(Cl)n2)n1
InChIInChI=1S/C9H10ClN5/c1-15-12-6-7(14-15)5-11-9-4-2-3-8(10)13-9/h2-4,6H,5H2,1H3,(H,11,13)
InChIKeyQBLKJUHGKOJNRP-UHFFFAOYSA-N
XLogP1.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.48
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

6-chloro-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-2-amine
CID 83093214
6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 102808181
6-chloro-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 53410285
1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine
CID 130935235
6-chloro-N-(2-methylpropyl)pyridin-2-amine
CID 53410300
[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 106197039
6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridin-2-amine
CID 130783828
N-methoxy-1-(2-methyltriazol-4-yl)methanamine
CID 130588226
6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 63587851
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
6-chloro-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine
CID 106194524
N-[2-(azepan-1-yl)ethyl]-6-chloropyridin-2-amine
CID 107257793

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-methyltriazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[(2-methyltriazol-4-yl)methyl]pyridin-2-amine (CID 130747973) is 6-chloro-N-[(2-methyltriazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(2-methyltriazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(2-methyltriazol-4-yl)methyl]pyridin-2-amine is Cn1ncc(CNc2cccc(Cl)n2)n1.
What is the InChIKey of 6-chloro-N-[(2-methyltriazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is QBLKJUHGKOJNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-15-12-6-7(14-15)5-11-9-4-2-3-8(10)13-9/h2-4,6H,5H2,1H3,(H,11,13).
What are the key properties of 6-chloro-N-[(2-methyltriazol-4-yl)methyl]pyridin-2-amine?
6-chloro-N-[(2-methyltriazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 223.67 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-methyltriazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 130747973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).