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

C11H10ClN5S — CID 103710800

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 NameN-[2-(5-chlorothiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID103710800
Molecular FormulaC11H10ClN5S
Molecular Weight279.76 g/mol
Exact Mass279.03
IUPAC NameN-[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
XLogP2.49
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(1S)-N,N-dimethyl-N'-(tetrazolo[1,5-a]pyrazin-8-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 95787457
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106048729
5-(5-Chlorothiophen-2-yl)-8-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrazine
CID 58447039
5-(5-Chlorothiophen-2-yl)-3-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrazine
CID 67428027
3-[(2S)-thiolan-2-yl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 130226439
N-[(5-chlorothiophen-2-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 28656469
1-(5-chlorothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711701
6-Chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080071
N-[(5-chlorothiophen-2-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 43234031
1-(5-chlorothiophen-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43439075
1-(5-chlorothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 43439135
1-(5-chlorothiophen-2-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43685615

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).