2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline

C11H12N4 — CID 7063998

IUPAC2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline
SMILESNc1ccccc1-c1n[nH]c(C2CC2)n1
InChIInChI=1S/C11H12N4/c12-9-4-2-1-3-8(9)11-13-10(14-15-11)7-5-6-7/h1-4,7H,5-6,12H2,(H,13,14,15)
InChIKeyYIDQJALYMDZXKO-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.93
Rot. Bonds2

About 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline

2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline (PubChem CID 7063998) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline
PubChem CID7063998
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline
SMILESNc1ccccc1-c1n[nH]c(C2CC2)n1
InChIInChI=1S/C11H12N4/c12-9-4-2-1-3-8(9)11-13-10(14-15-11)7-5-6-7/h1-4,7H,5-6,12H2,(H,13,14,15)
InChIKeyYIDQJALYMDZXKO-UHFFFAOYSA-N
XLogP1.93
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 855888
2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}aniline
CID 746455
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)aniline
CID 22493236
3,5-Bis(3-aminophenyl)-4H-1,2,4-triazol-4-amine
CID 5302316
2-(1H-1,2,4-triazol-5-yl)aniline
CID 3446512
3-(1H-1,2,4-Triazol-5-yl)benzenamine
CID 6484188
3-(5-Phenyl-4h-1,2,4-Triazol-3-Yl)aniline
CID 33779314
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 22493408
2-[4-amino-5-(2-aminophenyl)-4H-1,2,4-triazol-3-yl]phenylamine
CID 3818607
3-methyl-5-phenyl-1H-1,2,4-triazole
CID 594381
5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-amine
CID 2951125
5-(2-nitrophenyl)-1H-1,2,4-triazol-3-amine
CID 3726868

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline (CID 7063998) is 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline is Nc1ccccc1-c1n[nH]c(C2CC2)n1.
What is the InChIKey of 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline?
The InChIKey is YIDQJALYMDZXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c12-9-4-2-1-3-8(9)11-13-10(14-15-11)7-5-6-7/h1-4,7H,5-6,12H2,(H,13,14,15).
What are the key properties of 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline?
2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline has a molecular weight of 200.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 7063998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).