[1-(4-chlorophenyl)cyclobutyl]-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)methanone

C20H23ClN4O — CID 162626556

IUPAC[1-(4-chlorophenyl)cyclobutyl]-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)methanone
SMILESO=C(N1CCc2nc(C3CC3)nn2CC1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C20H23ClN4O/c21-16-6-4-15(5-7-16)20(9-1-10-20)19(26)24-11-8-17-22-18(14-2-3-14)23-25(17)13-12-24/h4-7,14H,1-3,8-13H2
InChIKeyTXVPNDOUFFDXBD-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.32
Rot. Bonds3

About [1-(4-chlorophenyl)cyclobutyl]-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)methanone

[1-(4-chlorophenyl)cyclobutyl]-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)methanone (PubChem CID 162626556) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclobutyl]-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclobutyl]-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)methanone
PubChem CID162626556
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name[1-(4-chlorophenyl)cyclobutyl]-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)methanone
SMILESO=C(N1CCc2nc(C3CC3)nn2CC1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C20H23ClN4O/c21-16-6-4-15(5-7-16)20(9-1-10-20)19(26)24-11-8-17-22-18(14-2-3-14)23-25(17)13-12-24/h4-7,14H,1-3,8-13H2
InChIKeyTXVPNDOUFFDXBD-UHFFFAOYSA-N
XLogP3.32
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(4-chlorophenyl)cyclobutyl]-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)methanone 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 [1-(4-chlorophenyl)cyclobutyl]-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclobutyl]-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)methanone (CID 162626556) is [1-(4-chlorophenyl)cyclobutyl]-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclobutyl]-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclobutyl]-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)methanone is O=C(N1CCc2nc(C3CC3)nn2CC1)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclobutyl]-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)methanone?
The InChIKey is TXVPNDOUFFDXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c21-16-6-4-15(5-7-16)20(9-1-10-20)19(26)24-11-8-17-22-18(14-2-3-14)23-25(17)13-12-24/h4-7,14H,1-3,8-13H2.
What are the key properties of [1-(4-chlorophenyl)cyclobutyl]-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)methanone?
[1-(4-chlorophenyl)cyclobutyl]-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)methanone has a molecular weight of 370.88 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclobutyl]-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)methanone is sourced from PubChem (CID 162626556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).