2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine

C12H22N4 — CID 64817796

IUPAC2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
SMILESCC(C)Cn1cnnc1C1CCCCC1N
InChIInChI=1S/C12H22N4/c1-9(2)7-16-8-14-15-12(16)10-5-3-4-6-11(10)13/h8-11H,3-7,13H2,1-2H3
InChIKeyGWDSOIZLRLXNMS-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.92
Rot. Bonds3

About 2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine

2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine (PubChem CID 64817796) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
PubChem CID64817796
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
SMILESCC(C)Cn1cnnc1C1CCCCC1N
InChIInChI=1S/C12H22N4/c1-9(2)7-16-8-14-15-12(16)10-5-3-4-6-11(10)13/h8-11H,3-7,13H2,1-2H3
InChIKeyGWDSOIZLRLXNMS-UHFFFAOYSA-N
XLogP1.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine (CID 64817796) is 2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine is CC(C)Cn1cnnc1C1CCCCC1N.
What is the InChIKey of 2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine?
The InChIKey is GWDSOIZLRLXNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)7-16-8-14-15-12(16)10-5-3-4-6-11(10)13/h8-11H,3-7,13H2,1-2H3.
What are the key properties of 2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine?
2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 64817796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).