N-cyclopropyl-2-(1,2,4-triazol-1-yl)aniline

C11H12N4 — CID 103439007

IUPACN-cyclopropyl-2-(1,2,4-triazol-1-yl)aniline
SMILESc1ccc(-n2cncn2)c(NC2CC2)c1
InChIInChI=1S/C11H12N4/c1-2-4-11(15-8-12-7-13-15)10(3-1)14-9-5-6-9/h1-4,7-9,14H,5-6H2
InChIKeyAUPYCURQPVLVDJ-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.84
Rot. Bonds3

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

N-cyclopropyl-2-(1,2,4-triazol-1-yl)aniline (PubChem CID 103439007) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is N-cyclopropyl-2-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound NameN-cyclopropyl-2-(1,2,4-triazol-1-yl)aniline
PubChem CID103439007
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC NameN-cyclopropyl-2-(1,2,4-triazol-1-yl)aniline
SMILESc1ccc(-n2cncn2)c(NC2CC2)c1
InChIInChI=1S/C11H12N4/c1-2-4-11(15-8-12-7-13-15)10(3-1)14-9-5-6-9/h1-4,7-9,14H,5-6H2
InChIKeyAUPYCURQPVLVDJ-UHFFFAOYSA-N
XLogP1.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-3-amine
CID 79730381
N-(3-methylcyclobutyl)-2-(1,2,4-triazol-1-yl)aniline
CID 103561298
N-[2-(1,2,4-triazol-1-yl)phenyl]thian-3-amine
CID 62872900
N-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline
CID 43711534
5,5-dimethyl-N-[2-(1,2,4-triazol-1-yl)phenyl]thian-3-amine
CID 79958612
N-[2-(1,2,4-triazol-1-yl)phenyl]formamide
CID 64991070
N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)aniline
CID 106633347
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-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide
CID 82764172
N-(2-pyrazol-1-ylphenyl)oxan-4-amine
CID 43705664
N-[2-(tetrazol-1-yl)phenyl]cyclooctanamine
CID 43702152

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of N-cyclopropyl-2-(1,2,4-triazol-1-yl)aniline (CID 103439007) is N-cyclopropyl-2-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for N-cyclopropyl-2-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for N-cyclopropyl-2-(1,2,4-triazol-1-yl)aniline is c1ccc(-n2cncn2)c(NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-(1,2,4-triazol-1-yl)aniline?
The InChIKey is AUPYCURQPVLVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-2-4-11(15-8-12-7-13-15)10(3-1)14-9-5-6-9/h1-4,7-9,14H,5-6H2.
What are the key properties of N-cyclopropyl-2-(1,2,4-triazol-1-yl)aniline?
N-cyclopropyl-2-(1,2,4-triazol-1-yl)aniline has a molecular weight of 200.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 103439007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).