1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine

C12H16N4S — CID 62733191

IUPAC1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine
SMILESCn1nc(-c2cccs2)nc1C1(N)CCCC1
InChIInChI=1S/C12H16N4S/c1-16-11(12(13)6-2-3-7-12)14-10(15-16)9-5-4-8-17-9/h4-5,8H,2-3,6-7,13H2,1H3
InChIKeyLPYYWGPUWUCIAJ-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.27
Rot. Bonds2

About 1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine

1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine (PubChem CID 62733191) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine
PubChem CID62733191
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine
SMILESCn1nc(-c2cccs2)nc1C1(N)CCCC1
InChIInChI=1S/C12H16N4S/c1-16-11(12(13)6-2-3-7-12)14-10(15-16)9-5-4-8-17-9/h4-5,8H,2-3,6-7,13H2,1H3
InChIKeyLPYYWGPUWUCIAJ-UHFFFAOYSA-N
XLogP2.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 64672891
[1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 62734137
4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-4-propylpiperidine
CID 63126368
1-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61335106
4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62733759
3-methyl-4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62734324
2-thiophen-2-ylspiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,1'-cyclopentane]
CID 136550976
3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62733008
4-methyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thiophen-2-amine
CID 62732446
4-methyl-3-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 63654749
1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 62721241
1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine
CID 62720379

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The IUPAC name of 1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine (CID 62733191) is 1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine is Cn1nc(-c2cccs2)nc1C1(N)CCCC1.
What is the InChIKey of 1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The InChIKey is LPYYWGPUWUCIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-16-11(12(13)6-2-3-7-12)14-10(15-16)9-5-4-8-17-9/h4-5,8H,2-3,6-7,13H2,1H3.
What are the key properties of 1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine has a molecular weight of 248.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 62733191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).