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

C15H22N4 — CID 43686586

IUPACN-(2-methylpentyl)-4-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCCCC(C)CNc1ccc(-c2nncn2C)cc1
InChIInChI=1S/C15H22N4/c1-4-5-12(2)10-16-14-8-6-13(7-9-14)15-18-17-11-19(15)3/h6-9,11-12,16H,4-5,10H2,1-3H3
InChIKeyCIQKLQZXZDBEOC-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.33
Rot. Bonds6

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

N-(2-methylpentyl)-4-(4-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 43686586) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(2-methylpentyl)-4-(4-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-(2-methylpentyl)-4-(4-methyl-1,2,4-triazol-3-yl)aniline
PubChem CID43686586
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-(2-methylpentyl)-4-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCCCC(C)CNc1ccc(-c2nncn2C)cc1
InChIInChI=1S/C15H22N4/c1-4-5-12(2)10-16-14-8-6-13(7-9-14)15-18-17-11-19(15)3/h6-9,11-12,16H,4-5,10H2,1-3H3
InChIKeyCIQKLQZXZDBEOC-UHFFFAOYSA-N
XLogP3.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentyl)-4-(4-methyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-(2-methylpentyl)-4-(4-methyl-1,2,4-triazol-3-yl)aniline (CID 43686586) is N-(2-methylpentyl)-4-(4-methyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-(2-methylpentyl)-4-(4-methyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-(2-methylpentyl)-4-(4-methyl-1,2,4-triazol-3-yl)aniline is CCCC(C)CNc1ccc(-c2nncn2C)cc1.
What is the InChIKey of N-(2-methylpentyl)-4-(4-methyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is CIQKLQZXZDBEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-5-12(2)10-16-14-8-6-13(7-9-14)15-18-17-11-19(15)3/h6-9,11-12,16H,4-5,10H2,1-3H3.
What are the key properties of N-(2-methylpentyl)-4-(4-methyl-1,2,4-triazol-3-yl)aniline?
N-(2-methylpentyl)-4-(4-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 258.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentyl)-4-(4-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 43686586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).