4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylaniline

C16H22N4 — CID 61338708

IUPAC4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2n[nH]c(C3CCCCC3)n2)cc1
InChIInChI=1S/C16H22N4/c1-20(2)14-10-8-13(9-11-14)16-17-15(18-19-16)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyMRYWJHBXMPFQPS-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.59
Rot. Bonds3

About 4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylaniline

4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylaniline (PubChem CID 61338708) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylaniline
PubChem CID61338708
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2n[nH]c(C3CCCCC3)n2)cc1
InChIInChI=1S/C16H22N4/c1-20(2)14-10-8-13(9-11-14)16-17-15(18-19-16)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyMRYWJHBXMPFQPS-UHFFFAOYSA-N
XLogP3.59
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylaniline (CID 61338708) is 4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylaniline is CN(C)c1ccc(-c2n[nH]c(C3CCCCC3)n2)cc1.
What is the InChIKey of 4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylaniline?
The InChIKey is MRYWJHBXMPFQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-20(2)14-10-8-13(9-11-14)16-17-15(18-19-16)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylaniline?
4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylaniline has a molecular weight of 270.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylaniline is sourced from PubChem (CID 61338708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).