[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine

C15H24N4S — CID 43530324

IUPAC[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine
SMILESNCC1CCCCC1Sc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C15H24N4S/c16-9-11-3-1-2-4-13(11)20-15-18-17-14(10-5-6-10)19(15)12-7-8-12/h10-13H,1-9,16H2
InChIKeyHDVKZZZPDKZOFJ-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.10
Rot. Bonds5

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

[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine (PubChem CID 43530324) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is [2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine
PubChem CID43530324
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine
SMILESNCC1CCCCC1Sc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C15H24N4S/c16-9-11-3-1-2-4-13(11)20-15-18-17-14(10-5-6-10)19(15)12-7-8-12/h10-13H,1-9,16H2
InChIKeyHDVKZZZPDKZOFJ-UHFFFAOYSA-N
XLogP3.10
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
The IUPAC name of [2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine (CID 43530324) is [2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine.
What is the SMILES notation for [2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
The canonical SMILES for [2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine is NCC1CCCCC1Sc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of [2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
The InChIKey is HDVKZZZPDKZOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c16-9-11-3-1-2-4-13(11)20-15-18-17-14(10-5-6-10)19(15)12-7-8-12/h10-13H,1-9,16H2.
What are the key properties of [2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine has a molecular weight of 292.45 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine is sourced from PubChem (CID 43530324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).