N-[2-(5-chlorothiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

Name: N-[2-(5-chlorothiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₀ClN₅S — CID 103710800

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

SMILESClc1ccc(CCNc2nccn3cnnc23)s1

InChIInChI=1S/C11H10ClN5S/c12-9-2-1-8(18-9)3-4-13-10-11-16-15-7-17(11)6-5-14-10/h1-2,5-7H,3-4H2,(H,13,14)

InChIKeyUXPABPJBQRUFMI-UHFFFAOYSA-N

MW279.76 g/mol

LogP2.49

Rot. Bonds4

About N-[2-(5-chlorothiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 103710800) has the molecular formula C₁₁H₁₀ClN₅S and a molecular weight of 279.76 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name	N-[2-(5-chlorothiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID	103710800
Molecular Formula	C₁₁H₁₀ClN₅S
Molecular Weight	279.76 g/mol
Exact Mass	279.03
IUPAC Name	N-[2-(5-chlorothiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILES	Clc1ccc(CCNc2nccn3cnnc23)s1
InChI	InChI=1S/C11H10ClN5S/c12-9-2-1-8(18-9)3-4-13-10-11-16-15-7-17(11)6-5-14-10/h1-2,5-7H,3-4H2,(H,13,14)
InChIKey	UXPABPJBQRUFMI-UHFFFAOYSA-N
XLogP	2.49
TPSA	55.11 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.76
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?

The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 103710800) is N-[2-(5-chlorothiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?

The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Clc1ccc(CCNc2nccn3cnnc23)s1.

What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?

The InChIKey is UXPABPJBQRUFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5S/c12-9-2-1-8(18-9)3-4-13-10-11-16-15-7-17(11)6-5-14-10/h1-2,5-7H,3-4H2,(H,13,14).

What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?

N-[2-(5-chlorothiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 279.76 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 103710800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 103710800 — identifiers, structure, computed properties (public domain)

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