2-[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine

C17H24N4 — CID 61363149

IUPAC2-[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine
SMILESCc1nnc(-c2ccc(CCN)cc2)n1C1CCCCC1
InChIInChI=1S/C17H24N4/c1-13-19-20-17(21(13)16-5-3-2-4-6-16)15-9-7-14(8-10-15)11-12-18/h7-10,16H,2-6,11-12,18H2,1H3
InChIKeyDAPIGRDSVRRBJK-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.26
Rot. Bonds4

About 2-[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine

2-[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine (PubChem CID 61363149) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine
PubChem CID61363149
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine
SMILESCc1nnc(-c2ccc(CCN)cc2)n1C1CCCCC1
InChIInChI=1S/C17H24N4/c1-13-19-20-17(21(13)16-5-3-2-4-6-16)15-9-7-14(8-10-15)11-12-18/h7-10,16H,2-6,11-12,18H2,1H3
InChIKeyDAPIGRDSVRRBJK-UHFFFAOYSA-N
XLogP3.26
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine (CID 61363149) is 2-[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine is Cc1nnc(-c2ccc(CCN)cc2)n1C1CCCCC1.
What is the InChIKey of 2-[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine?
The InChIKey is DAPIGRDSVRRBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-19-20-17(21(13)16-5-3-2-4-6-16)15-9-7-14(8-10-15)11-12-18/h7-10,16H,2-6,11-12,18H2,1H3.
What are the key properties of 2-[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine?
2-[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine has a molecular weight of 284.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine is sourced from PubChem (CID 61363149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).