N-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethyl]-2-methylaniline

C17H24N4 — CID 61339126

IUPACN-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C17H24N4/c1-13-7-5-6-10-15(13)18-12-11-16-19-17(21-20-16)14-8-3-2-4-9-14/h5-7,10,14,18H,2-4,8-9,11-12H2,1H3,(H,19,20,21)
InChIKeyQZOWPCIZBOJMKL-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.82
Rot. Bonds5

About N-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethyl]-2-methylaniline

N-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethyl]-2-methylaniline (PubChem CID 61339126) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethyl]-2-methylaniline
PubChem CID61339126
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C17H24N4/c1-13-7-5-6-10-15(13)18-12-11-16-19-17(21-20-16)14-8-3-2-4-9-14/h5-7,10,14,18H,2-4,8-9,11-12H2,1H3,(H,19,20,21)
InChIKeyQZOWPCIZBOJMKL-UHFFFAOYSA-N
XLogP3.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethyl]-2-methylaniline?
The IUPAC name of N-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethyl]-2-methylaniline (CID 61339126) is N-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethyl]-2-methylaniline.
What is the SMILES notation for N-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethyl]-2-methylaniline?
The canonical SMILES for N-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethyl]-2-methylaniline is Cc1ccccc1NCCc1nc(C2CCCCC2)n[nH]1.
What is the InChIKey of N-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethyl]-2-methylaniline?
The InChIKey is QZOWPCIZBOJMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-7-5-6-10-15(13)18-12-11-16-19-17(21-20-16)14-8-3-2-4-9-14/h5-7,10,14,18H,2-4,8-9,11-12H2,1H3,(H,19,20,21).
What are the key properties of N-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethyl]-2-methylaniline?
N-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethyl]-2-methylaniline has a molecular weight of 284.41 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethyl]-2-methylaniline is sourced from PubChem (CID 61339126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).