7-chloro-4-methyl-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C15H16ClN5O — CID 22609387

IUPAC7-chloro-4-methyl-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCn1c(=O)c2cc(Cl)ccc2n2c(N3CCCCC3)nnc12
InChIInChI=1S/C15H16ClN5O/c1-19-13(22)11-9-10(16)5-6-12(11)21-14(19)17-18-15(21)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8H2,1H3
InChIKeyOXLRQXZNXKMRRE-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.22
Rot. Bonds1

About 7-chloro-4-methyl-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

7-chloro-4-methyl-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 22609387) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 7-chloro-4-methyl-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name7-chloro-4-methyl-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID22609387
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name7-chloro-4-methyl-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCn1c(=O)c2cc(Cl)ccc2n2c(N3CCCCC3)nnc12
InChIInChI=1S/C15H16ClN5O/c1-19-13(22)11-9-10(16)5-6-12(11)21-14(19)17-18-15(21)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8H2,1H3
InChIKeyOXLRQXZNXKMRRE-UHFFFAOYSA-N
XLogP2.22
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 7-chloro-4-methyl-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 22609387) is 7-chloro-4-methyl-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 7-chloro-4-methyl-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 7-chloro-4-methyl-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is Cn1c(=O)c2cc(Cl)ccc2n2c(N3CCCCC3)nnc12.
What is the InChIKey of 7-chloro-4-methyl-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is OXLRQXZNXKMRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-19-13(22)11-9-10(16)5-6-12(11)21-14(19)17-18-15(21)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 7-chloro-4-methyl-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
7-chloro-4-methyl-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 317.78 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-1-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 22609387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).