4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C9H6N4O — CID 135450456

IUPAC4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESO=c1[nH]c2nncn2c2ccccc12
InChIInChI=1S/C9H6N4O/c14-8-6-3-1-2-4-7(6)13-5-10-12-9(13)11-8/h1-5H,(H,11,12,14)
InChIKeyLTJCKJVQPRZVDG-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.57
Rot. Bonds

About 4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 135450456) has the molecular formula C9H6N4O and a molecular weight of 186.17 g/mol. Its IUPAC name is 4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID135450456
Molecular FormulaC9H6N4O
Molecular Weight186.17 g/mol
Exact Mass186.05
IUPAC Name4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESO=c1[nH]c2nncn2c2ccccc12
InChIInChI=1S/C9H6N4O/c14-8-6-3-1-2-4-7(6)13-5-10-12-9(13)11-8/h1-5H,(H,11,12,14)
InChIKeyLTJCKJVQPRZVDG-UHFFFAOYSA-N
XLogP0.57
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-Oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2493330
4-phenyltetrazolo[1,5-a]quinazolin-5(4H)-one
CID 650278
2-[(5-Oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2413312
3-hydroxy-6-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 66572208
3-hydroxy-6-(1,2,4-triazol-4-yl)-1H-quinazoline-2,4-dione
CID 137656938
2-(4-Ethyl-5-oxo-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-1-ylsulfanyl)-acetamide
CID 1434400
N-methyl-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2411226
2-[(5-Oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide
CID 16258820
4-phenyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2363388
1-Methylsulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 16370143
S-(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl) ethanethioate
CID 162650532
7-Fluoro-1-methylsulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 162654583

Frequently Asked Questions

What is the IUPAC name of 4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 135450456) is 4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one is O=c1[nH]c2nncn2c2ccccc12.
What is the InChIKey of 4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is LTJCKJVQPRZVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O/c14-8-6-3-1-2-4-7(6)13-5-10-12-9(13)11-8/h1-5H,(H,11,12,14).
What are the key properties of 4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 186.17 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 135450456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).