2-[3-(3-chloro-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethanamine

C9H10ClN5 — CID 103445373

IUPAC2-[3-(3-chloro-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESNCCc1nc(-c2ncccc2Cl)n[nH]1
InChIInChI=1S/C9H10ClN5/c10-6-2-1-5-12-8(6)9-13-7(3-4-11)14-15-9/h1-2,5H,3-4,11H2,(H,13,14,15)
InChIKeyPZVHIRBELQTXJU-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.02
Rot. Bonds3

About 2-[3-(3-chloro-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethanamine

2-[3-(3-chloro-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethanamine (PubChem CID 103445373) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 2-[3-(3-chloro-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-chloro-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethanamine
PubChem CID103445373
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name2-[3-(3-chloro-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESNCCc1nc(-c2ncccc2Cl)n[nH]1
InChIInChI=1S/C9H10ClN5/c10-6-2-1-5-12-8(6)9-13-7(3-4-11)14-15-9/h1-2,5H,3-4,11H2,(H,13,14,15)
InChIKeyPZVHIRBELQTXJU-UHFFFAOYSA-N
XLogP1.02
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-pyrimidin-4-yl-1H-1,2,4-triazol-5-yl)ethanamine
CID 63990025
3-chloro-2-(3-chloro-2-pyridinyl)pyridine;palladium(2+)
CID 18935247
2-[3-(3-bromo-4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 115568502
2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)ethanamine
CID 62952070
5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 103442682
4,6-dichloro-2-(3-chloro-2-pyridinyl)-5-iodopyrimidine
CID 103443010
2-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82481625
2-[3-(3,4-difluorophenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 56773382
4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 103442754
5-[3-(4-pyridin-2-ylphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine
CID 82569333
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 106109412
[2-(3-chloro-2-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine
CID 114206169

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(3-chloro-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethanamine (CID 103445373) is 2-[3-(3-chloro-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(3-chloro-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(3-chloro-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethanamine is NCCc1nc(-c2ncccc2Cl)n[nH]1.
What is the InChIKey of 2-[3-(3-chloro-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The InChIKey is PZVHIRBELQTXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c10-6-2-1-5-12-8(6)9-13-7(3-4-11)14-15-9/h1-2,5H,3-4,11H2,(H,13,14,15).
What are the key properties of 2-[3-(3-chloro-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethanamine?
2-[3-(3-chloro-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethanamine has a molecular weight of 223.67 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethanamine is sourced from PubChem (CID 103445373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).