N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-phenylacetamide

C18H15N5O — CID 845433

IUPACN-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-phenylacetamide
SMILESCc1nc2ccccc2c2nc(NC(=O)Cc3ccccc3)nn12
InChIInChI=1S/C18H15N5O/c1-12-19-15-10-6-5-9-14(15)17-21-18(22-23(12)17)20-16(24)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,22,24)
InChIKeyYUUZVUYDXOPVKJ-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.77
Rot. Bonds3

About N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-phenylacetamide

N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-phenylacetamide (PubChem CID 845433) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-phenylacetamide
PubChem CID845433
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC NameN-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-phenylacetamide
SMILESCc1nc2ccccc2c2nc(NC(=O)Cc3ccccc3)nn12
InChIInChI=1S/C18H15N5O/c1-12-19-15-10-6-5-9-14(15)17-21-18(22-23(12)17)20-16(24)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,22,24)
InChIKeyYUUZVUYDXOPVKJ-UHFFFAOYSA-N
XLogP2.77
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-phenylacetamide?
The IUPAC name of N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-phenylacetamide (CID 845433) is N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-phenylacetamide is Cc1nc2ccccc2c2nc(NC(=O)Cc3ccccc3)nn12.
What is the InChIKey of N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-phenylacetamide?
The InChIKey is YUUZVUYDXOPVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-12-19-15-10-6-5-9-14(15)17-21-18(22-23(12)17)20-16(24)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,22,24).
What are the key properties of N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-phenylacetamide?
N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-phenylacetamide has a molecular weight of 317.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-phenylacetamide is sourced from PubChem (CID 845433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).