5-[5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-chloro-2H-indazole

C21H20ClN7 — CID 91590115

IUPAC5-[5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-chloro-2H-indazole
SMILESClc1[nH]nc2ccc(-c3nncc(N4CCNC(Cc5ccccc5)C4)n3)cc12
InChIInChI=1S/C21H20ClN7/c22-20-17-11-15(6-7-18(17)26-27-20)21-25-19(12-24-28-21)29-9-8-23-16(13-29)10-14-4-2-1-3-5-14/h1-7,11-12,16,23H,8-10,13H2,(H,26,27)
InChIKeyFYPKSQFXNMITHR-UHFFFAOYSA-N
MW405.89 g/mol
LogP3.09
Rot. Bonds4

About 5-[5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-chloro-2H-indazole

5-[5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-chloro-2H-indazole (PubChem CID 91590115) has the molecular formula C21H20ClN7 and a molecular weight of 405.89 g/mol. Its IUPAC name is 5-[5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-chloro-2H-indazole.

Molecular Properties

Compound Name5-[5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-chloro-2H-indazole
PubChem CID91590115
Molecular FormulaC21H20ClN7
Molecular Weight405.89 g/mol
Exact Mass405.15
IUPAC Name5-[5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-chloro-2H-indazole
SMILESClc1[nH]nc2ccc(-c3nncc(N4CCNC(Cc5ccccc5)C4)n3)cc12
InChIInChI=1S/C21H20ClN7/c22-20-17-11-15(6-7-18(17)26-27-20)21-25-19(12-24-28-21)29-9-8-23-16(13-29)10-14-4-2-1-3-5-14/h1-7,11-12,16,23H,8-10,13H2,(H,26,27)
InChIKeyFYPKSQFXNMITHR-UHFFFAOYSA-N
XLogP3.09
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-chloro-2H-indazole 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

5-[5-[(3S)-3-benzylpiperazin-1-yl]-6-chloro-1,2,4-triazin-3-yl]-3-methyl-2H-indazole
CID 11553539
3-methyl-5-[5-(3-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-2H-indazole
CID 91521289
5-[5-[(3S)-3-benzyl-4-methylpiperazin-1-yl]-1,2,4-triazin-3-yl]-3-methyl-2H-indazole
CID 11639917
5-[5-(3,3-dibenzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-methyl-2H-indazole
CID 11670098
1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidin-3-amine
CID 11673967
2-[4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanol
CID 143269918
3-benzyl-1-(3-chlorophenyl)piperazine
CID 64924476
(3S)-3-benzyl-1-(5-bromo-6-pyridin-4-yl-2-pyridinyl)piperazine
CID 71063559
N-benzyl-3-(3-methyl-2H-indazol-5-yl)-5-(3-propan-2-ylpiperazin-1-yl)-1,2,4-triazin-6-amine
CID 73043663
3-benzyl-1-(2,5-dichlorophenyl)piperazine
CID 64925458
3-(3-methyl-2H-indazol-5-yl)-5-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-amine
CID 73035751
3-benzyl-1-(5-chloro-2-methylphenyl)piperazine
CID 64926645

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-chloro-2H-indazole?
The IUPAC name of 5-[5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-chloro-2H-indazole (CID 91590115) is 5-[5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-chloro-2H-indazole.
What is the SMILES notation for 5-[5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-chloro-2H-indazole?
The canonical SMILES for 5-[5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-chloro-2H-indazole is Clc1[nH]nc2ccc(-c3nncc(N4CCNC(Cc5ccccc5)C4)n3)cc12.
What is the InChIKey of 5-[5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-chloro-2H-indazole?
The InChIKey is FYPKSQFXNMITHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN7/c22-20-17-11-15(6-7-18(17)26-27-20)21-25-19(12-24-28-21)29-9-8-23-16(13-29)10-14-4-2-1-3-5-14/h1-7,11-12,16,23H,8-10,13H2,(H,26,27).
What are the key properties of 5-[5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-chloro-2H-indazole?
5-[5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-chloro-2H-indazole has a molecular weight of 405.89 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-chloro-2H-indazole is sourced from PubChem (CID 91590115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).