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

C13H18N4S — CID 64672891

IUPAC1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
SMILESCn1nc(-c2cccs2)nc1CC1(N)CCCC1
InChIInChI=1S/C13H18N4S/c1-17-11(9-13(14)6-2-3-7-13)15-12(16-17)10-5-4-8-18-10/h4-5,8H,2-3,6-7,9,14H2,1H3
InChIKeyQCVAWFZBBKSVCW-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.36
Rot. Bonds3

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

1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine (PubChem CID 64672891) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
PubChem CID64672891
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
SMILESCn1nc(-c2cccs2)nc1CC1(N)CCCC1
InChIInChI=1S/C13H18N4S/c1-17-11(9-13(14)6-2-3-7-13)15-12(16-17)10-5-4-8-18-10/h4-5,8H,2-3,6-7,9,14H2,1H3
InChIKeyQCVAWFZBBKSVCW-UHFFFAOYSA-N
XLogP2.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

[1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 62734137
1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 62733191
3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]aniline
CID 65345528
3,3-dimethyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
CID 65285410
3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
CID 55111148
4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-4-propylpiperidine
CID 63126368
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
1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-2-phenylethanamine
CID 62733943
N-methyl-1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)propan-1-amine
CID 62733947
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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine (CID 64672891) is 1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine is Cn1nc(-c2cccs2)nc1CC1(N)CCCC1.
What is the InChIKey of 1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is QCVAWFZBBKSVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-17-11(9-13(14)6-2-3-7-13)15-12(16-17)10-5-4-8-18-10/h4-5,8H,2-3,6-7,9,14H2,1H3.
What are the key properties of 1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 2.36, 3 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)methyl]cyclopentan-1-amine is sourced from PubChem (CID 64672891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).