[3-(4-propylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine

C12H22N4 — CID 65403012

IUPAC[3-(4-propylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine
SMILESCCCC1CCC(c2n[nH]c(CN)n2)CC1
InChIInChI=1S/C12H22N4/c1-2-3-9-4-6-10(7-5-9)12-14-11(8-13)15-16-12/h9-10H,2-8,13H2,1H3,(H,14,15,16)
InChIKeyLBNDIOPTQBBJIU-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.34
Rot. Bonds4

About [3-(4-propylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine

[3-(4-propylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine (PubChem CID 65403012) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is [3-(4-propylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-propylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine
PubChem CID65403012
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name[3-(4-propylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine
SMILESCCCC1CCC(c2n[nH]c(CN)n2)CC1
InChIInChI=1S/C12H22N4/c1-2-3-9-4-6-10(7-5-9)12-14-11(8-13)15-16-12/h9-10H,2-8,13H2,1H3,(H,14,15,16)
InChIKeyLBNDIOPTQBBJIU-UHFFFAOYSA-N
XLogP2.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-propylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine?
The IUPAC name of [3-(4-propylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine (CID 65403012) is [3-(4-propylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-propylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine?
The canonical SMILES for [3-(4-propylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine is CCCC1CCC(c2n[nH]c(CN)n2)CC1.
What is the InChIKey of [3-(4-propylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine?
The InChIKey is LBNDIOPTQBBJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-2-3-9-4-6-10(7-5-9)12-14-11(8-13)15-16-12/h9-10H,2-8,13H2,1H3,(H,14,15,16).
What are the key properties of [3-(4-propylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine?
[3-(4-propylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine is sourced from PubChem (CID 65403012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).