5-chloro-N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine

C8H8ClN5 — CID 778503

IUPAC5-chloro-N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine
SMILESClc1ccc(NCn2cncn2)nc1
InChIInChI=1S/C8H8ClN5/c9-7-1-2-8(11-3-7)12-6-14-5-10-4-13-14/h1-5H,6H2,(H,11,12)
InChIKeyWRZUECBLWLADJI-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.40
Rot. Bonds3

About 5-chloro-N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine

5-chloro-N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine (PubChem CID 778503) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is 5-chloro-N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine
PubChem CID778503
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name5-chloro-N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine
SMILESClc1ccc(NCn2cncn2)nc1
InChIInChI=1S/C8H8ClN5/c9-7-1-2-8(11-3-7)12-6-14-5-10-4-13-14/h1-5H,6H2,(H,11,12)
InChIKeyWRZUECBLWLADJI-UHFFFAOYSA-N
XLogP1.40
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine (CID 778503) is 5-chloro-N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine is Clc1ccc(NCn2cncn2)nc1.
What is the InChIKey of 5-chloro-N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine?
The InChIKey is WRZUECBLWLADJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c9-7-1-2-8(11-3-7)12-6-14-5-10-4-13-14/h1-5H,6H2,(H,11,12).
What are the key properties of 5-chloro-N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine?
5-chloro-N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine has a molecular weight of 209.64 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 778503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).