N-(2-ethylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

C17H15N5 — CID 15990057

IUPACN-(2-ethylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCCc1ccccc1Nc1nc2ccccc2c2nncn12
InChIInChI=1S/C17H15N5/c1-2-12-7-3-5-9-14(12)19-17-20-15-10-6-4-8-13(15)16-21-18-11-22(16)17/h3-11H,2H2,1H3,(H,19,20)
InChIKeyFBYWWXCIHWWKTQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.58
Rot. Bonds3

About N-(2-ethylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

N-(2-ethylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (PubChem CID 15990057) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(2-ethylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
PubChem CID15990057
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC NameN-(2-ethylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCCc1ccccc1Nc1nc2ccccc2c2nncn12
InChIInChI=1S/C17H15N5/c1-2-12-7-3-5-9-14(12)19-17-20-15-10-6-4-8-13(15)16-21-18-11-22(16)17/h3-11H,2H2,1H3,(H,19,20)
InChIKeyFBYWWXCIHWWKTQ-UHFFFAOYSA-N
XLogP3.58
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The IUPAC name of N-(2-ethylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (CID 15990057) is N-(2-ethylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.
What is the SMILES notation for N-(2-ethylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The canonical SMILES for N-(2-ethylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is CCc1ccccc1Nc1nc2ccccc2c2nncn12.
What is the InChIKey of N-(2-ethylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The InChIKey is FBYWWXCIHWWKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-2-12-7-3-5-9-14(12)19-17-20-15-10-6-4-8-13(15)16-21-18-11-22(16)17/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of N-(2-ethylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
N-(2-ethylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine has a molecular weight of 289.34 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is sourced from PubChem (CID 15990057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).