2-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline

C20H20N6O — CID 75543710

IUPAC2-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCCOc1ccc(C2CC(c3nc4c5ccccc5ncn4n3)NN2)cc1
InChIInChI=1S/C20H20N6O/c1-2-27-14-9-7-13(8-10-14)17-11-18(24-23-17)19-22-20-15-5-3-4-6-16(15)21-12-26(20)25-19/h3-10,12,17-18,23-24H,2,11H2,1H3
InChIKeySRAZFUVYHDVKRU-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.96
Rot. Bonds4

About 2-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline

2-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 75543710) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID75543710
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCCOc1ccc(C2CC(c3nc4c5ccccc5ncn4n3)NN2)cc1
InChIInChI=1S/C20H20N6O/c1-2-27-14-9-7-13(8-10-14)17-11-18(24-23-17)19-22-20-15-5-3-4-6-16(15)21-12-26(20)25-19/h3-10,12,17-18,23-24H,2,11H2,1H3
InChIKeySRAZFUVYHDVKRU-UHFFFAOYSA-N
XLogP2.96
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-tert-butylpyrazolidin-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 73258191
13-(difluoromethyl)-4-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-11-methyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene
CID 75543704
4-[5-(4-fluorophenyl)pyrazolidin-3-yl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 78364896
2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 86806672
2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 3163629
2-(1-adamantylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 19583070
(5R,7S)-5-(4-ethoxyphenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 931814
(5S,7R)-7-(4-ethoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 933915
2-[5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 135568267
(5R,7S)-5-(2-chlorophenyl)-7-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 135682894
2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 142915531
cis-(1R,3R)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylic acid
CID 7873946

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline (CID 75543710) is 2-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline is CCOc1ccc(C2CC(c3nc4c5ccccc5ncn4n3)NN2)cc1.
What is the InChIKey of 2-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is SRAZFUVYHDVKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-2-27-14-9-7-13(8-10-14)17-11-18(24-23-17)19-22-20-15-5-3-4-6-16(15)21-12-26(20)25-19/h3-10,12,17-18,23-24H,2,11H2,1H3.
What are the key properties of 2-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
2-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 360.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 75543710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).