4-(azepan-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C15H17N5O — CID 56625363

IUPAC4-(azepan-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESO=c1c2ccccc2n2cnnc2n1N1CCCCCC1
InChIInChI=1S/C15H17N5O/c21-14-12-7-3-4-8-13(12)19-11-16-17-15(19)20(14)18-9-5-1-2-6-10-18/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKeyLDPQPNTVAZCSKG-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.56
Rot. Bonds1

About 4-(azepan-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

4-(azepan-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 56625363) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(azepan-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name4-(azepan-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID56625363
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name4-(azepan-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESO=c1c2ccccc2n2cnnc2n1N1CCCCCC1
InChIInChI=1S/C15H17N5O/c21-14-12-7-3-4-8-13(12)19-11-16-17-15(19)20(14)18-9-5-1-2-6-10-18/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKeyLDPQPNTVAZCSKG-UHFFFAOYSA-N
XLogP1.56
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2354700
4-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091297
6-(azepan-1-yl)-4-benzyl-7-bromo-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 56635490
1-pyrrolidin-1-ylindazole-3-carboxylic acid
CID 71259520
7-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 155814381
5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline
CID 156537559
4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole
CID 2773117
1-pyrrolidin-1-yl-3H-imidazo[4,5-c]quinolin-2-one
CID 140558441
4-[(2-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]quinazolin-5-one
CID 166064078
4-benzyl-8-[2-(methylamino)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 70084485
N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156556840
5-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline
CID 166904022

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 4-(azepan-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 56625363) is 4-(azepan-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 4-(azepan-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 4-(azepan-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is O=c1c2ccccc2n2cnnc2n1N1CCCCCC1.
What is the InChIKey of 4-(azepan-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is LDPQPNTVAZCSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c21-14-12-7-3-4-8-13(12)19-11-16-17-15(19)20(14)18-9-5-1-2-6-10-18/h3-4,7-8,11H,1-2,5-6,9-10H2.
What are the key properties of 4-(azepan-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
4-(azepan-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 283.33 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 56625363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).