N-(4-ethoxyphenyl)-2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine

C23H23N5O — CID 50800609

IUPACN-(4-ethoxyphenyl)-2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
SMILESCCOc1ccc(Nc2c3c(nc4nc(-c5ccccc5)nn24)CCCC3)cc1
InChIInChI=1S/C23H23N5O/c1-2-29-18-14-12-17(13-15-18)24-22-19-10-6-7-11-20(19)25-23-26-21(27-28(22)23)16-8-4-3-5-9-16/h3-5,8-9,12-15,24H,2,6-7,10-11H2,1H3
InChIKeyZZQFAXIVMNNDRA-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.81
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine

N-(4-ethoxyphenyl)-2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine (PubChem CID 50800609) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
PubChem CID50800609
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-(4-ethoxyphenyl)-2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
SMILESCCOc1ccc(Nc2c3c(nc4nc(-c5ccccc5)nn24)CCCC3)cc1
InChIInChI=1S/C23H23N5O/c1-2-29-18-14-12-17(13-15-18)24-22-19-10-6-7-11-20(19)25-23-26-21(27-28(22)23)16-8-4-3-5-9-16/h3-5,8-9,12-15,24H,2,6-7,10-11H2,1H3
InChIKeyZZQFAXIVMNNDRA-UHFFFAOYSA-N
XLogP4.81
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The IUPAC name of N-(4-ethoxyphenyl)-2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine (CID 50800609) is N-(4-ethoxyphenyl)-2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine is CCOc1ccc(Nc2c3c(nc4nc(-c5ccccc5)nn24)CCCC3)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The InChIKey is ZZQFAXIVMNNDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-2-29-18-14-12-17(13-15-18)24-22-19-10-6-7-11-20(19)25-23-26-21(27-28(22)23)16-8-4-3-5-9-16/h3-5,8-9,12-15,24H,2,6-7,10-11H2,1H3.
What are the key properties of N-(4-ethoxyphenyl)-2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
N-(4-ethoxyphenyl)-2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine has a molecular weight of 385.47 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 50800609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).