N-(2-methylbutyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline

C14H20N4 — CID 54865337

IUPACN-(2-methylbutyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
SMILESCCC(C)CNc1cccc(-c2n[nH]c(C)n2)c1
InChIInChI=1S/C14H20N4/c1-4-10(2)9-15-13-7-5-6-12(8-13)14-16-11(3)17-18-14/h5-8,10,15H,4,9H2,1-3H3,(H,16,17,18)
InChIKeyZICICPLCCPZFGU-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.24
Rot. Bonds5

About N-(2-methylbutyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline

N-(2-methylbutyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline (PubChem CID 54865337) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(2-methylbutyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-(2-methylbutyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
PubChem CID54865337
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-(2-methylbutyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
SMILESCCC(C)CNc1cccc(-c2n[nH]c(C)n2)c1
InChIInChI=1S/C14H20N4/c1-4-10(2)9-15-13-7-5-6-12(8-13)14-16-11(3)17-18-14/h5-8,10,15H,4,9H2,1-3H3,(H,16,17,18)
InChIKeyZICICPLCCPZFGU-UHFFFAOYSA-N
XLogP3.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methylheptan-3-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 63450959
N-heptyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 60935756
N-(3-methoxy-3-methylbutyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 106675384
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylpropyl)aniline
CID 60936007
N-[(2-methylphenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 60935634
N-[(3-bromophenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 60935760
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 55060219
2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 54862667
N-[(1-ethylpyrrol-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 66412154
N-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 54865266
N-[(5-methylthiophen-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 60936009
N-[(2-chlorophenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 60935874

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-(2-methylbutyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline (CID 54865337) is N-(2-methylbutyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-(2-methylbutyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-(2-methylbutyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline is CCC(C)CNc1cccc(-c2n[nH]c(C)n2)c1.
What is the InChIKey of N-(2-methylbutyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
The InChIKey is ZICICPLCCPZFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-10(2)9-15-13-7-5-6-12(8-13)14-16-11(3)17-18-14/h5-8,10,15H,4,9H2,1-3H3,(H,16,17,18).
What are the key properties of N-(2-methylbutyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
N-(2-methylbutyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline has a molecular weight of 244.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 54865337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).