2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline

C17H14N4O — CID 3163629

IUPAC2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCOc1ccc(Cc2nc3c4ccccc4ncn3n2)cc1
InChIInChI=1S/C17H14N4O/c1-22-13-8-6-12(7-9-13)10-16-19-17-14-4-2-3-5-15(14)18-11-21(17)20-16/h2-9,11H,10H2,1H3
InChIKeyRBNFSXIMVOFFRL-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.88
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline

2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 3163629) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID3163629
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCOc1ccc(Cc2nc3c4ccccc4ncn3n2)cc1
InChIInChI=1S/C17H14N4O/c1-22-13-8-6-12(7-9-13)10-16-19-17-14-4-2-3-5-15(14)18-11-21(17)20-16/h2-9,11H,10H2,1H3
InChIKeyRBNFSXIMVOFFRL-UHFFFAOYSA-N
XLogP2.88
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline (CID 3163629) is 2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline is COc1ccc(Cc2nc3c4ccccc4ncn3n2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is RBNFSXIMVOFFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-22-13-8-6-12(7-9-13)10-16-19-17-14-4-2-3-5-15(14)18-11-21(17)20-16/h2-9,11H,10H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline?
2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 290.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 3163629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).