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

C17H15N5O — CID 67042612

IUPAC5-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine
SMILESCOc1ccc(Cc2nc3ccccc3c3nc(N)nn23)cc1
InChIInChI=1S/C17H15N5O/c1-23-12-8-6-11(7-9-12)10-15-19-14-5-3-2-4-13(14)16-20-17(18)21-22(15)16/h2-9H,10H2,1H3,(H2,18,21)
InChIKeyKIXIVVHLJBNVBY-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.46
Rot. Bonds3

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

5-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine (PubChem CID 67042612) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine
PubChem CID67042612
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name5-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine
SMILESCOc1ccc(Cc2nc3ccccc3c3nc(N)nn23)cc1
InChIInChI=1S/C17H15N5O/c1-23-12-8-6-11(7-9-12)10-15-19-14-5-3-2-4-13(14)16-20-17(18)21-22(15)16/h2-9H,10H2,1H3,(H2,18,21)
InChIKeyKIXIVVHLJBNVBY-UHFFFAOYSA-N
XLogP2.46
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine (CID 67042612) is 5-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine is COc1ccc(Cc2nc3ccccc3c3nc(N)nn23)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine?
The InChIKey is KIXIVVHLJBNVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-23-12-8-6-11(7-9-12)10-15-19-14-5-3-2-4-13(14)16-20-17(18)21-22(15)16/h2-9H,10H2,1H3,(H2,18,21).
What are the key properties of 5-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine?
5-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine has a molecular weight of 305.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine is sourced from PubChem (CID 67042612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).