5-cyclopropyl-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one

C18H15N5O — CID 95807645

IUPAC5-cyclopropyl-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one
SMILESO=c1n(Cc2ccccn2)nc2c3ccccc3nc(C3CC3)n12
InChIInChI=1S/C18H15N5O/c24-18-22(11-13-5-3-4-10-19-13)21-17-14-6-1-2-7-15(14)20-16(23(17)18)12-8-9-12/h1-7,10,12H,8-9,11H2
InChIKeyBTNMCTUYCQPYBY-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.36
Rot. Bonds3

About 5-cyclopropyl-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one

5-cyclopropyl-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one (PubChem CID 95807645) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-cyclopropyl-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one
PubChem CID95807645
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name5-cyclopropyl-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one
SMILESO=c1n(Cc2ccccn2)nc2c3ccccc3nc(C3CC3)n12
InChIInChI=1S/C18H15N5O/c24-18-22(11-13-5-3-4-10-19-13)21-17-14-6-1-2-7-15(14)20-16(23(17)18)12-8-9-12/h1-7,10,12H,8-9,11H2
InChIKeyBTNMCTUYCQPYBY-UHFFFAOYSA-N
XLogP2.36
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one with MolForge

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Related Compounds

2-[2-[(4aR,8aR)-2,2-dimethyl-3-oxo-4a,5,6,7,8,8a-hexahydro-4H-quinoxalin-1-yl]-2-oxoethyl]-5-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 92582891
6-cyclopropylbenzimidazolo[1,2-c]quinazoline
CID 70651535
4-cyclopropyl-5-methyl-2-(pyridin-2-ylmethyl)-1,2,4-triazol-3-one
CID 126953671
N,N,3-trimethyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]quinolin-4-amine
CID 22320313
5-cyclopropyl-2-(naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-one
CID 90542420
4-cyclopropyl-2-(pyridin-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-one
CID 121117157
3-cyclohexyl-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 38921957
6-bromo-2-(pyridin-2-ylmethyl)pyridazin-3-one
CID 124926524
3-cyclopropyl-2-(2-pyridin-2-ylethylamino)quinazolin-4-one
CID 51083180
2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide
CID 60554928
4-methyl-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 72859530
4-phenyl-1,2-bis(pyridin-2-ylmethyl)-1,2,4-triazolidine-3,5-dione
CID 1089007

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The IUPAC name of 5-cyclopropyl-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one (CID 95807645) is 5-cyclopropyl-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one.
What is the SMILES notation for 5-cyclopropyl-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The canonical SMILES for 5-cyclopropyl-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one is O=c1n(Cc2ccccn2)nc2c3ccccc3nc(C3CC3)n12.
What is the InChIKey of 5-cyclopropyl-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The InChIKey is BTNMCTUYCQPYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c24-18-22(11-13-5-3-4-10-19-13)21-17-14-6-1-2-7-15(14)20-16(23(17)18)12-8-9-12/h1-7,10,12H,8-9,11H2.
What are the key properties of 5-cyclopropyl-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
5-cyclopropyl-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one has a molecular weight of 317.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one is sourced from PubChem (CID 95807645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).