4-[4-(triazol-2-yl)phenyl]-1H-pyrazol-5-amine

C11H10N6 — CID 117325187

IUPAC4-[4-(triazol-2-yl)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(-n2nccn2)cc1
InChIInChI=1S/C11H10N6/c12-11-10(7-13-16-11)8-1-3-9(4-2-8)17-14-5-6-15-17/h1-7H,(H3,12,13,16)
InChIKeyLUMDKWJCNAPAOX-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.24
Rot. Bonds2

About 4-[4-(triazol-2-yl)phenyl]-1H-pyrazol-5-amine

4-[4-(triazol-2-yl)phenyl]-1H-pyrazol-5-amine (PubChem CID 117325187) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-[4-(triazol-2-yl)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4-(triazol-2-yl)phenyl]-1H-pyrazol-5-amine
PubChem CID117325187
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name4-[4-(triazol-2-yl)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(-n2nccn2)cc1
InChIInChI=1S/C11H10N6/c12-11-10(7-13-16-11)8-1-3-9(4-2-8)17-14-5-6-15-17/h1-7H,(H3,12,13,16)
InChIKeyLUMDKWJCNAPAOX-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

4-(4-bromophenyl)-1H-pyrazol-5-amine
CID 17390115
3-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-4-methyl-1H-imidazol-2-one
CID 117390963
4-(4-nitrophenyl)-1H-pyrazol-5-amine
CID 28688793
4-(3-methylbenzimidazol-5-yl)-1H-pyrazol-5-amine
CID 117304063
4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117431686
4-(1,2-benzoxazol-5-yl)-1H-pyrazol-5-amine
CID 117289185
4-(4-piperidin-4-ylphenyl)-1H-pyrazol-5-amine
CID 117358172
4-(1-benzofuran-5-yl)-1H-pyrazol-5-amine
CID 117288402
4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine
CID 117383094
4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine
CID 61393233
N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]piperidin-3-amine
CID 141333654
4-[4-(2-morpholin-4-ylethyl)phenyl]-1H-pyrazol-5-amine
CID 117433925

Frequently Asked Questions

What is the IUPAC name of 4-[4-(triazol-2-yl)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[4-(triazol-2-yl)phenyl]-1H-pyrazol-5-amine (CID 117325187) is 4-[4-(triazol-2-yl)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4-(triazol-2-yl)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4-(triazol-2-yl)phenyl]-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1ccc(-n2nccn2)cc1.
What is the InChIKey of 4-[4-(triazol-2-yl)phenyl]-1H-pyrazol-5-amine?
The InChIKey is LUMDKWJCNAPAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c12-11-10(7-13-16-11)8-1-3-9(4-2-8)17-14-5-6-15-17/h1-7H,(H3,12,13,16).
What are the key properties of 4-[4-(triazol-2-yl)phenyl]-1H-pyrazol-5-amine?
4-[4-(triazol-2-yl)phenyl]-1H-pyrazol-5-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 4-[4-(triazol-2-yl)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117325187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).