4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline

C24H19N7 — CID 133327764

IUPAC4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline
SMILESc1ccc(-c2nnc3n2CCN(c2nc(-c4cccnc4)nc4ccccc24)C3)cc1
InChIInChI=1S/C24H19N7/c1-2-7-17(8-3-1)23-29-28-21-16-30(13-14-31(21)23)24-19-10-4-5-11-20(19)26-22(27-24)18-9-6-12-25-15-18/h1-12,15H,13-14,16H2
InChIKeyVYMRXWDACHRDHA-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.97
Rot. Bonds3

About 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline

4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline (PubChem CID 133327764) has the molecular formula C24H19N7 and a molecular weight of 405.47 g/mol. Its IUPAC name is 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline
PubChem CID133327764
Molecular FormulaC24H19N7
Molecular Weight405.47 g/mol
Exact Mass405.17
IUPAC Name4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline
SMILESc1ccc(-c2nnc3n2CCN(c2nc(-c4cccnc4)nc4ccccc24)C3)cc1
InChIInChI=1S/C24H19N7/c1-2-7-17(8-3-1)23-29-28-21-16-30(13-14-31(21)23)24-19-10-4-5-11-20(19)26-22(27-24)18-9-6-12-25-15-18/h1-12,15H,13-14,16H2
InChIKeyVYMRXWDACHRDHA-UHFFFAOYSA-N
XLogP3.97
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline 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

4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133287442
phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2480686
(2R)-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propan-1-ol
CID 95762506
ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate
CID 4880874
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-2-pyridin-3-ylquinazoline
CID 133322897
4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
CID 137470060
2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline
CID 2540547
2-pyridin-3-yl-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]quinazoline
CID 9338628
3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 51283276
[5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol
CID 166238124
2-amino-6-(2-pyridin-3-ylquinazolin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 24528700
N-phenyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-amine
CID 133363141

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline?
The IUPAC name of 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline (CID 133327764) is 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline.
What is the SMILES notation for 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline?
The canonical SMILES for 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline is c1ccc(-c2nnc3n2CCN(c2nc(-c4cccnc4)nc4ccccc24)C3)cc1.
What is the InChIKey of 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline?
The InChIKey is VYMRXWDACHRDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7/c1-2-7-17(8-3-1)23-29-28-21-16-30(13-14-31(21)23)24-19-10-4-5-11-20(19)26-22(27-24)18-9-6-12-25-15-18/h1-12,15H,13-14,16H2.
What are the key properties of 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline?
4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline has a molecular weight of 405.47 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline is sourced from PubChem (CID 133327764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).