(1-benzyltriazol-4-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone

C21H21Cl2N5O — CID 86903514

IUPAC(1-benzyltriazol-4-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2)nn1)N1CCN(Cc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C21H21Cl2N5O/c22-18-8-4-7-17(20(18)23)14-26-9-11-27(12-10-26)21(29)19-15-28(25-24-19)13-16-5-2-1-3-6-16/h1-8,15H,9-14H2
InChIKeyJZSUCSKMMOPJCT-UHFFFAOYSA-N
MW430.34 g/mol
LogP3.59
Rot. Bonds5

About (1-benzyltriazol-4-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone

(1-benzyltriazol-4-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 86903514) has the molecular formula C21H21Cl2N5O and a molecular weight of 430.34 g/mol. Its IUPAC name is (1-benzyltriazol-4-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyltriazol-4-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID86903514
Molecular FormulaC21H21Cl2N5O
Molecular Weight430.34 g/mol
Exact Mass429.11
IUPAC Name(1-benzyltriazol-4-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2)nn1)N1CCN(Cc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C21H21Cl2N5O/c22-18-8-4-7-17(20(18)23)14-26-9-11-27(12-10-26)21(29)19-15-28(25-24-19)13-16-5-2-1-3-6-16/h1-8,15H,9-14H2
InChIKeyJZSUCSKMMOPJCT-UHFFFAOYSA-N
XLogP3.59
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-benzyltriazol-4-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-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

Related Compounds

(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 57403942
2-[4-(1-benzyltriazole-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 39487776
(1-benzyltriazol-4-yl)-piperazin-1-ylmethanone
CID 119402143
[4-(benzenesulfonyl)piperazin-1-yl]-(1-benzyltriazol-4-yl)methanone
CID 31769999
1-[4-(1-benzyltriazole-4-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021758
[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 26410534
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 25279493
(4-chloro-1H-pyrrol-2-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 86903667
(1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545055
1-benzyltriazole-4-carbonyl chloride
CID 87720228
(1-benzyltriazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623754

Frequently Asked Questions

What is the IUPAC name of (1-benzyltriazol-4-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (1-benzyltriazol-4-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone (CID 86903514) is (1-benzyltriazol-4-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-benzyltriazol-4-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-benzyltriazol-4-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1cn(Cc2ccccc2)nn1)N1CCN(Cc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of (1-benzyltriazol-4-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is JZSUCSKMMOPJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5O/c22-18-8-4-7-17(20(18)23)14-26-9-11-27(12-10-26)21(29)19-15-28(25-24-19)13-16-5-2-1-3-6-16/h1-8,15H,9-14H2.
What are the key properties of (1-benzyltriazol-4-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone?
(1-benzyltriazol-4-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 430.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyltriazol-4-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 86903514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).