5-amino-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

C13H10N6O — CID 69452020

IUPAC5-amino-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESNc1cc2n[nH]c(=O)n2c2cc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C13H10N6O/c14-10-4-12-17-18-13(20)19(12)11-3-7(1-2-9(10)11)8-5-15-16-6-8/h1-6H,14H2,(H,15,16)(H,18,20)
InChIKeyIZUPGASFHSZLHL-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.15
Rot. Bonds1

About 5-amino-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

5-amino-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 69452020) has the molecular formula C13H10N6O and a molecular weight of 266.26 g/mol. Its IUPAC name is 5-amino-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name5-amino-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID69452020
Molecular FormulaC13H10N6O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name5-amino-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESNc1cc2n[nH]c(=O)n2c2cc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C13H10N6O/c14-10-4-12-17-18-13(20)19(12)11-3-7(1-2-9(10)11)8-5-15-16-6-8/h1-6H,14H2,(H,15,16)(H,18,20)
InChIKeyIZUPGASFHSZLHL-UHFFFAOYSA-N
XLogP1.15
TPSA104.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 10355488
5-methyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
CID 46934730
5-methyl-8-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
CID 49865546
5-(hydroxymethyl)-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69455815
US10562887, Example 79
CID 132168717
US10562887, Example 178
CID 132168860
US10562887, Example 17
CID 132169426
US10562887, Example 59
CID 132169132
Pyrazolyl-quinazolinone
CID 66987583
1-Naphthalen-1-yl-3-pyrazol-1-ylurea
CID 69893128
4-(5-fluoro-2-methylphenyl)-5-(1H-pyrazol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50979013
2-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-one
CID 132168686

Frequently Asked Questions

What is the IUPAC name of 5-amino-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 5-amino-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 69452020) is 5-amino-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 5-amino-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 5-amino-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is Nc1cc2n[nH]c(=O)n2c2cc(-c3cn[nH]c3)ccc12.
What is the InChIKey of 5-amino-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is IZUPGASFHSZLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O/c14-10-4-12-17-18-13(20)19(12)11-3-7(1-2-9(10)11)8-5-15-16-6-8/h1-6H,14H2,(H,15,16)(H,18,20).
What are the key properties of 5-amino-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
5-amino-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 266.26 g/mol, XLogP of 1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 69452020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).