5-[2-(triazol-1-yl)phenyl]-1H-pyrazol-3-amine

C11H10N6 — CID 117325182

IUPAC5-[2-(triazol-1-yl)phenyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccccc2-n2ccnn2)[nH]n1
InChIInChI=1S/C11H10N6/c12-11-7-9(14-15-11)8-3-1-2-4-10(8)17-6-5-13-16-17/h1-7H,(H3,12,14,15)
InChIKeyNSJHBJGNMWMYFJ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.24
Rot. Bonds2

About 5-[2-(triazol-1-yl)phenyl]-1H-pyrazol-3-amine

5-[2-(triazol-1-yl)phenyl]-1H-pyrazol-3-amine (PubChem CID 117325182) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-[2-(triazol-1-yl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2-(triazol-1-yl)phenyl]-1H-pyrazol-3-amine
PubChem CID117325182
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name5-[2-(triazol-1-yl)phenyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccccc2-n2ccnn2)[nH]n1
InChIInChI=1S/C11H10N6/c12-11-7-9(14-15-11)8-3-1-2-4-10(8)17-6-5-13-16-17/h1-7H,(H3,12,14,15)
InChIKeyNSJHBJGNMWMYFJ-UHFFFAOYSA-N
XLogP1.24
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(triazol-1-yl)phenyl]-1,2-oxazol-5-amine
CID 117326376
5-[2-(triazol-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117325181
5-[2-(4-methyltriazol-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117353163
3-(triazol-1-yl)pyridin-2-amine
CID 84651207
5-(1-methyl-2,3-dihydroindol-4-yl)-1H-pyrazol-3-amine
CID 117305701
5-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)-1H-pyrazol-3-amine
CID 117329151
copper;1-(2-methylphenyl)triazole
CID 141369525
3-[2-[2-(triazol-1-yl)phenyl]phenyl]-1,2,4-thiadiazole
CID 91473384
3-(triazol-1-yl)pyridin-4-amine
CID 84651204
5-(3-chloro-1H-indol-4-yl)-1H-pyrazol-3-amine
CID 117337228
5-phthalazin-5-yl-1H-pyrazol-3-amine
CID 117301213
5-[2-(oxiran-2-yl)phenyl]-1H-pyrazol-3-amine
CID 88558873

Frequently Asked Questions

What is the IUPAC name of 5-[2-(triazol-1-yl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[2-(triazol-1-yl)phenyl]-1H-pyrazol-3-amine (CID 117325182) is 5-[2-(triazol-1-yl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2-(triazol-1-yl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2-(triazol-1-yl)phenyl]-1H-pyrazol-3-amine is Nc1cc(-c2ccccc2-n2ccnn2)[nH]n1.
What is the InChIKey of 5-[2-(triazol-1-yl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is NSJHBJGNMWMYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c12-11-7-9(14-15-11)8-3-1-2-4-10(8)17-6-5-13-16-17/h1-7H,(H3,12,14,15).
What are the key properties of 5-[2-(triazol-1-yl)phenyl]-1H-pyrazol-3-amine?
5-[2-(triazol-1-yl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 226.24 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(triazol-1-yl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117325182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).