N-(1-cyclopentylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline

C16H22N4 — CID 62634097

IUPACN-(1-cyclopentylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCC(Nc1cccc(-c2nncn2C)c1)C1CCCC1
InChIInChI=1S/C16H22N4/c1-12(13-6-3-4-7-13)18-15-9-5-8-14(10-15)16-19-17-11-20(16)2/h5,8-13,18H,3-4,6-7H2,1-2H3
InChIKeyWOWINVLSZDDLAT-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.47
Rot. Bonds4

About N-(1-cyclopentylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline

N-(1-cyclopentylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 62634097) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
PubChem CID62634097
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-(1-cyclopentylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCC(Nc1cccc(-c2nncn2C)c1)C1CCCC1
InChIInChI=1S/C16H22N4/c1-12(13-6-3-4-7-13)18-15-9-5-8-14(10-15)16-19-17-11-20(16)2/h5,8-13,18H,3-4,6-7H2,1-2H3
InChIKeyWOWINVLSZDDLAT-UHFFFAOYSA-N
XLogP3.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(dicyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43738680
N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43738672
1-cyclohexyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-4-amine
CID 75472388
N-(1-cyclohexylethyl)-3-methylaniline
CID 43755613
3-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43738674
1-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1,3-diamine
CID 79458662
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43738659
N-[(2R)-1-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 95146686
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 106757445
N-tert-butyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 58709894
2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014321
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119293654

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-(1-cyclopentylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline (CID 62634097) is N-(1-cyclopentylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-(1-cyclopentylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-(1-cyclopentylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline is CC(Nc1cccc(-c2nncn2C)c1)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is WOWINVLSZDDLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12(13-6-3-4-7-13)18-15-9-5-8-14(10-15)16-19-17-11-20(16)2/h5,8-13,18H,3-4,6-7H2,1-2H3.
What are the key properties of N-(1-cyclopentylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
N-(1-cyclopentylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 270.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 62634097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).