(4-cyclohexyl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine

C13H18N4S — CID 113278965

IUPAC(4-cyclohexyl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine
SMILESNC(c1cccs1)c1nncn1C1CCCCC1
InChIInChI=1S/C13H18N4S/c14-12(11-7-4-8-18-11)13-16-15-9-17(13)10-5-2-1-3-6-10/h4,7-10,12H,1-3,5-6,14H2
InChIKeyJVZOTHUGRBOAGT-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.89
Rot. Bonds3

About (4-cyclohexyl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine

(4-cyclohexyl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine (PubChem CID 113278965) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is (4-cyclohexyl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(4-cyclohexyl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine
PubChem CID113278965
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name(4-cyclohexyl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine
SMILESNC(c1cccs1)c1nncn1C1CCCCC1
InChIInChI=1S/C13H18N4S/c14-12(11-7-4-8-18-11)13-16-15-9-17(13)10-5-2-1-3-6-10/h4,7-10,12H,1-3,5-6,14H2
InChIKeyJVZOTHUGRBOAGT-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexyl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine?
The IUPAC name of (4-cyclohexyl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine (CID 113278965) is (4-cyclohexyl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (4-cyclohexyl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine?
The canonical SMILES for (4-cyclohexyl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine is NC(c1cccs1)c1nncn1C1CCCCC1.
What is the InChIKey of (4-cyclohexyl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine?
The InChIKey is JVZOTHUGRBOAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c14-12(11-7-4-8-18-11)13-16-15-9-17(13)10-5-2-1-3-6-10/h4,7-10,12H,1-3,5-6,14H2.
What are the key properties of (4-cyclohexyl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine?
(4-cyclohexyl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine has a molecular weight of 262.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexyl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 113278965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).