benzyl 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxylate

C24H24N6O2 — CID 46045269

IUPACbenzyl 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(c2nc3ccccc3c3nnc(C4CC4)n23)CC1
InChIInChI=1S/C24H24N6O2/c31-24(32-16-17-6-2-1-3-7-17)29-14-12-28(13-15-29)23-25-20-9-5-4-8-19(20)22-27-26-21(30(22)23)18-10-11-18/h1-9,18H,10-16H2
InChIKeyXYTGCXKNJFXMGS-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.61
Rot. Bonds4

About benzyl 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxylate

benzyl 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxylate (PubChem CID 46045269) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is benzyl 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxylate
PubChem CID46045269
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Namebenzyl 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(c2nc3ccccc3c3nnc(C4CC4)n23)CC1
InChIInChI=1S/C24H24N6O2/c31-24(32-16-17-6-2-1-3-7-17)29-14-12-28(13-15-29)23-25-20-9-5-4-8-19(20)22-27-26-21(30(22)23)18-10-11-18/h1-9,18H,10-16H2
InChIKeyXYTGCXKNJFXMGS-UHFFFAOYSA-N
XLogP3.61
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze benzyl 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxylate?
The IUPAC name of benzyl 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxylate (CID 46045269) is benzyl 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCN(c2nc3ccccc3c3nnc(C4CC4)n23)CC1.
What is the InChIKey of benzyl 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxylate?
The InChIKey is XYTGCXKNJFXMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c31-24(32-16-17-6-2-1-3-7-17)29-14-12-28(13-15-29)23-25-20-9-5-4-8-19(20)22-27-26-21(30(22)23)18-10-11-18/h1-9,18H,10-16H2.
What are the key properties of benzyl 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxylate?
benzyl 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxylate has a molecular weight of 428.50 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxylate is sourced from PubChem (CID 46045269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).