cyclohexyl-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine

C16H22N4 — CID 62723083

IUPACcyclohexyl-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
SMILESCn1nc(-c2ccccc2)nc1C(N)C1CCCCC1
InChIInChI=1S/C16H22N4/c1-20-16(14(17)12-8-4-2-5-9-12)18-15(19-20)13-10-6-3-7-11-13/h3,6-7,10-12,14H,2,4-5,8-9,17H2,1H3
InChIKeyNELVILKBQAUFCQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.06
Rot. Bonds3

About cyclohexyl-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine

cyclohexyl-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 62723083) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is cyclohexyl-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Namecyclohexyl-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
PubChem CID62723083
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Namecyclohexyl-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
SMILESCn1nc(-c2ccccc2)nc1C(N)C1CCCCC1
InChIInChI=1S/C16H22N4/c1-20-16(14(17)12-8-4-2-5-9-12)18-15(19-20)13-10-6-3-7-11-13/h3,6-7,10-12,14H,2,4-5,8-9,17H2,1H3
InChIKeyNELVILKBQAUFCQ-UHFFFAOYSA-N
XLogP3.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of cyclohexyl-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine (CID 62723083) is cyclohexyl-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for cyclohexyl-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for cyclohexyl-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine is Cn1nc(-c2ccccc2)nc1C(N)C1CCCCC1.
What is the InChIKey of cyclohexyl-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is NELVILKBQAUFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-20-16(14(17)12-8-4-2-5-9-12)18-15(19-20)13-10-6-3-7-11-13/h3,6-7,10-12,14H,2,4-5,8-9,17H2,1H3.
What are the key properties of cyclohexyl-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine?
cyclohexyl-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 270.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 62723083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).