2-[4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanol

C17H21N7O — CID 143269918

IUPAC2-[4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanol
SMILESCc1[nH]nc2ccc(-c3nncc(N4CCN(CCO)CC4)n3)cc12
InChIInChI=1S/C17H21N7O/c1-12-14-10-13(2-3-15(14)21-20-12)17-19-16(11-18-22-17)24-6-4-23(5-7-24)8-9-25/h2-3,10-11,25H,4-9H2,1H3,(H,20,21)
InChIKeyATFLWZJRWGVXCE-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.84
Rot. Bonds4

About 2-[4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanol

2-[4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanol (PubChem CID 143269918) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanol
PubChem CID143269918
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name2-[4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanol
SMILESCc1[nH]nc2ccc(-c3nncc(N4CCN(CCO)CC4)n3)cc12
InChIInChI=1S/C17H21N7O/c1-12-14-10-13(2-3-15(14)21-20-12)17-19-16(11-18-22-17)24-6-4-23(5-7-24)8-9-25/h2-3,10-11,25H,4-9H2,1H3,(H,20,21)
InChIKeyATFLWZJRWGVXCE-UHFFFAOYSA-N
XLogP0.84
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanol 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-benzyl-4-methylpiperazin-1-yl]-1,2,4-triazin-3-yl]-3-methyl-2H-indazole
CID 11639917
1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidin-3-amine
CID 11673967
3-methyl-5-[5-(3-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-2H-indazole
CID 91521289
5-[5-(3,3-dibenzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-methyl-2H-indazole
CID 11670098
4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 140521192
5-[5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-chloro-2H-indazole
CID 91590115
2-[4-(7,8-dimethylisoquinolin-3-yl)piperazin-1-yl]ethanol;hydrochloride
CID 23321170
2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol
CID 83265901
3-(3-methyl-2H-indazol-5-yl)-5-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-amine
CID 73035751
2-[4-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 156866176
5-[5-[(3S)-3-benzylpiperazin-1-yl]-6-chloro-1,2,4-triazin-3-yl]-3-methyl-2H-indazole
CID 11553539
2,8-bis(3-methyl-2H-indazol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine
CID 171073745

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanol (CID 143269918) is 2-[4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanol is Cc1[nH]nc2ccc(-c3nncc(N4CCN(CCO)CC4)n3)cc12.
What is the InChIKey of 2-[4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanol?
The InChIKey is ATFLWZJRWGVXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-12-14-10-13(2-3-15(14)21-20-12)17-19-16(11-18-22-17)24-6-4-23(5-7-24)8-9-25/h2-3,10-11,25H,4-9H2,1H3,(H,20,21).
What are the key properties of 2-[4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanol?
2-[4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanol has a molecular weight of 339.40 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 143269918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).