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

C13H16N4 — CID 103561298

IUPACN-(3-methylcyclobutyl)-2-(1,2,4-triazol-1-yl)aniline
SMILESCC1CC(Nc2ccccc2-n2cncn2)C1
InChIInChI=1S/C13H16N4/c1-10-6-11(7-10)16-12-4-2-3-5-13(12)17-9-14-8-15-17/h2-5,8-11,16H,6-7H2,1H3
InChIKeyTZIHGATTZQHURA-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.48
Rot. Bonds3

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

N-(3-methylcyclobutyl)-2-(1,2,4-triazol-1-yl)aniline (PubChem CID 103561298) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(3-methylcyclobutyl)-2-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound NameN-(3-methylcyclobutyl)-2-(1,2,4-triazol-1-yl)aniline
PubChem CID103561298
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-(3-methylcyclobutyl)-2-(1,2,4-triazol-1-yl)aniline
SMILESCC1CC(Nc2ccccc2-n2cncn2)C1
InChIInChI=1S/C13H16N4/c1-10-6-11(7-10)16-12-4-2-3-5-13(12)17-9-14-8-15-17/h2-5,8-11,16H,6-7H2,1H3
InChIKeyTZIHGATTZQHURA-UHFFFAOYSA-N
XLogP2.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(1,2,4-triazol-1-yl)aniline
CID 103439007
N-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline
CID 43711534
N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-3-amine
CID 79730381
N-[2-(1,2,4-triazol-1-yl)phenyl]thian-3-amine
CID 62872900
5,5-dimethyl-N-[2-(1,2,4-triazol-1-yl)phenyl]thian-3-amine
CID 79958612
3-fluoro-N-(3-methylcyclobutyl)-4-(1,2,4-triazol-1-yl)aniline
CID 104860232
N-[2-(1,2,4-triazol-1-yl)phenyl]formamide
CID 64991070
N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43426538
8-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61167703
N-(4-methylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 65080282
N-octyl-2-(1,2,4-triazol-1-yl)aniline
CID 43711465
2-chloro-N-(3-methylcyclobutyl)aniline
CID 104860161

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclobutyl)-2-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of N-(3-methylcyclobutyl)-2-(1,2,4-triazol-1-yl)aniline (CID 103561298) is N-(3-methylcyclobutyl)-2-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for N-(3-methylcyclobutyl)-2-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for N-(3-methylcyclobutyl)-2-(1,2,4-triazol-1-yl)aniline is CC1CC(Nc2ccccc2-n2cncn2)C1.
What is the InChIKey of N-(3-methylcyclobutyl)-2-(1,2,4-triazol-1-yl)aniline?
The InChIKey is TZIHGATTZQHURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-6-11(7-10)16-12-4-2-3-5-13(12)17-9-14-8-15-17/h2-5,8-11,16H,6-7H2,1H3.
What are the key properties of N-(3-methylcyclobutyl)-2-(1,2,4-triazol-1-yl)aniline?
N-(3-methylcyclobutyl)-2-(1,2,4-triazol-1-yl)aniline has a molecular weight of 228.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclobutyl)-2-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 103561298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).