N-(3-propan-2-ylcyclohexyl)-2-(triazol-1-yl)aniline

C17H24N4 — CID 107448012

IUPACN-(3-propan-2-ylcyclohexyl)-2-(triazol-1-yl)aniline
SMILESCC(C)C1CCCC(Nc2ccccc2-n2ccnn2)C1
InChIInChI=1S/C17H24N4/c1-13(2)14-6-5-7-15(12-14)19-16-8-3-4-9-17(16)21-11-10-18-20-21/h3-4,8-11,13-15,19H,5-7,12H2,1-2H3
InChIKeySBZDUOJWXIJXRR-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.89
Rot. Bonds4

About N-(3-propan-2-ylcyclohexyl)-2-(triazol-1-yl)aniline

N-(3-propan-2-ylcyclohexyl)-2-(triazol-1-yl)aniline (PubChem CID 107448012) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-(3-propan-2-ylcyclohexyl)-2-(triazol-1-yl)aniline.

Molecular Properties

Compound NameN-(3-propan-2-ylcyclohexyl)-2-(triazol-1-yl)aniline
PubChem CID107448012
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-(3-propan-2-ylcyclohexyl)-2-(triazol-1-yl)aniline
SMILESCC(C)C1CCCC(Nc2ccccc2-n2ccnn2)C1
InChIInChI=1S/C17H24N4/c1-13(2)14-6-5-7-15(12-14)19-16-8-3-4-9-17(16)21-11-10-18-20-21/h3-4,8-11,13-15,19H,5-7,12H2,1-2H3
InChIKeySBZDUOJWXIJXRR-UHFFFAOYSA-N
XLogP3.89
TPSA42.74 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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylcyclohexyl)-2-(triazol-1-yl)aniline?
The IUPAC name of N-(3-propan-2-ylcyclohexyl)-2-(triazol-1-yl)aniline (CID 107448012) is N-(3-propan-2-ylcyclohexyl)-2-(triazol-1-yl)aniline.
What is the SMILES notation for N-(3-propan-2-ylcyclohexyl)-2-(triazol-1-yl)aniline?
The canonical SMILES for N-(3-propan-2-ylcyclohexyl)-2-(triazol-1-yl)aniline is CC(C)C1CCCC(Nc2ccccc2-n2ccnn2)C1.
What is the InChIKey of N-(3-propan-2-ylcyclohexyl)-2-(triazol-1-yl)aniline?
The InChIKey is SBZDUOJWXIJXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13(2)14-6-5-7-15(12-14)19-16-8-3-4-9-17(16)21-11-10-18-20-21/h3-4,8-11,13-15,19H,5-7,12H2,1-2H3.
What are the key properties of N-(3-propan-2-ylcyclohexyl)-2-(triazol-1-yl)aniline?
N-(3-propan-2-ylcyclohexyl)-2-(triazol-1-yl)aniline has a molecular weight of 284.41 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylcyclohexyl)-2-(triazol-1-yl)aniline is sourced from PubChem (CID 107448012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).