1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine

C12H22N4 — CID 64672693

IUPAC1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1nncn1C1CCCCC1
InChIInChI=1S/C12H22N4/c1-12(2,13)8-11-15-14-9-16(11)10-6-4-3-5-7-10/h9-10H,3-8,13H2,1-2H3
InChIKeyYMFDGSSMRNRFFL-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.06
Rot. Bonds3

About 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine

1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine (PubChem CID 64672693) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine
PubChem CID64672693
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1nncn1C1CCCCC1
InChIInChI=1S/C12H22N4/c1-12(2,13)8-11-15-14-9-16(11)10-6-4-3-5-7-10/h9-10H,3-8,13H2,1-2H3
InChIKeyYMFDGSSMRNRFFL-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine (CID 64672693) is 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine is CC(C)(N)Cc1nncn1C1CCCCC1.
What is the InChIKey of 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine?
The InChIKey is YMFDGSSMRNRFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-12(2,13)8-11-15-14-9-16(11)10-6-4-3-5-7-10/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine?
1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine has a molecular weight of 222.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 64672693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).