[1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine

C15H22N4S — CID 62734137

IUPAC[1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
SMILESCn1nc(-c2cccs2)nc1CC1(CN)CCCCC1
InChIInChI=1S/C15H22N4S/c1-19-13(10-15(11-16)7-3-2-4-8-15)17-14(18-19)12-6-5-9-20-12/h5-6,9H,2-4,7-8,10-11,16H2,1H3
InChIKeyZBIQBZZXRGXZJP-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.00
Rot. Bonds4

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

[1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine (PubChem CID 62734137) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is [1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
PubChem CID62734137
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name[1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
SMILESCn1nc(-c2cccs2)nc1CC1(CN)CCCCC1
InChIInChI=1S/C15H22N4S/c1-19-13(10-15(11-16)7-3-2-4-8-15)17-14(18-19)12-6-5-9-20-12/h5-6,9H,2-4,7-8,10-11,16H2,1H3
InChIKeyZBIQBZZXRGXZJP-UHFFFAOYSA-N
XLogP3.00
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine with MolForge

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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)cyclopentan-1-amine
CID 62733191
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]aniline
CID 65345528
[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine
CID 82870564
3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
CID 55111148
1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-2-phenylethanamine
CID 62733943
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
N-methyl-1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)propan-1-amine
CID 62733947
3-methyl-4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62734324
[1-[(3-bromothiophen-2-yl)methyl]cyclohexyl]methanamine
CID 62724489

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine (CID 62734137) is [1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine is Cn1nc(-c2cccs2)nc1CC1(CN)CCCCC1.
What is the InChIKey of [1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
The InChIKey is ZBIQBZZXRGXZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-19-13(10-15(11-16)7-3-2-4-8-15)17-14(18-19)12-6-5-9-20-12/h5-6,9H,2-4,7-8,10-11,16H2,1H3.
What are the key properties of [1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
[1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine has a molecular weight of 290.44 g/mol, XLogP of 3.00, 4 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]cyclohexyl]methanamine is sourced from PubChem (CID 62734137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).