[5-(2-ethylcyclohexyl)sulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine

C14H26N4S — CID 55251471

IUPAC[5-(2-ethylcyclohexyl)sulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
SMILESCCC1CCCCC1Sc1nnc(CN)n1C(C)C
InChIInChI=1S/C14H26N4S/c1-4-11-7-5-6-8-12(11)19-14-17-16-13(9-15)18(14)10(2)3/h10-12H,4-9,15H2,1-3H3
InChIKeyOGPQVYJMNYRMQJ-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.38
Rot. Bonds5

About [5-(2-ethylcyclohexyl)sulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine

[5-(2-ethylcyclohexyl)sulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine (PubChem CID 55251471) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is [5-(2-ethylcyclohexyl)sulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-ethylcyclohexyl)sulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
PubChem CID55251471
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name[5-(2-ethylcyclohexyl)sulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
SMILESCCC1CCCCC1Sc1nnc(CN)n1C(C)C
InChIInChI=1S/C14H26N4S/c1-4-11-7-5-6-8-12(11)19-14-17-16-13(9-15)18(14)10(2)3/h10-12H,4-9,15H2,1-3H3
InChIKeyOGPQVYJMNYRMQJ-UHFFFAOYSA-N
XLogP3.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-ethylcyclohexyl)sulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2-ethylcyclohexyl)sulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine (CID 55251471) is [5-(2-ethylcyclohexyl)sulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2-ethylcyclohexyl)sulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2-ethylcyclohexyl)sulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine is CCC1CCCCC1Sc1nnc(CN)n1C(C)C.
What is the InChIKey of [5-(2-ethylcyclohexyl)sulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is OGPQVYJMNYRMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-4-11-7-5-6-8-12(11)19-14-17-16-13(9-15)18(14)10(2)3/h10-12H,4-9,15H2,1-3H3.
What are the key properties of [5-(2-ethylcyclohexyl)sulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
[5-(2-ethylcyclohexyl)sulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 282.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethylcyclohexyl)sulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 55251471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).