3-methyl-5-[5-(3-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-2H-indazole

C21H21N7 — CID 91521289

IUPAC3-methyl-5-[5-(3-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-2H-indazole
SMILESCc1[nH]nc2ccc(-c3nncc(N4CCNC(c5ccccc5)C4)n3)cc12
InChIInChI=1S/C21H21N7/c1-14-17-11-16(7-8-18(17)26-25-14)21-24-20(12-23-27-21)28-10-9-22-19(13-28)15-5-3-2-4-6-15/h2-8,11-12,19,22H,9-10,13H2,1H3,(H,25,26)
InChIKeyJNKBFAZUFIJDEI-UHFFFAOYSA-N
MW371.45 g/mol
LogP2.87
Rot. Bonds3

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

3-methyl-5-[5-(3-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-2H-indazole (PubChem CID 91521289) has the molecular formula C21H21N7 and a molecular weight of 371.45 g/mol. Its IUPAC name is 3-methyl-5-[5-(3-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-2H-indazole.

Molecular Properties

Compound Name3-methyl-5-[5-(3-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-2H-indazole
PubChem CID91521289
Molecular FormulaC21H21N7
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name3-methyl-5-[5-(3-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-2H-indazole
SMILESCc1[nH]nc2ccc(-c3nncc(N4CCNC(c5ccccc5)C4)n3)cc12
InChIInChI=1S/C21H21N7/c1-14-17-11-16(7-8-18(17)26-25-14)21-24-20(12-23-27-21)28-10-9-22-19(13-28)15-5-3-2-4-6-15/h2-8,11-12,19,22H,9-10,13H2,1H3,(H,25,26)
InChIKeyJNKBFAZUFIJDEI-UHFFFAOYSA-N
XLogP2.87
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
5-[5-(3,3-dibenzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-methyl-2H-indazole
CID 11670098
5-[5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-chloro-2H-indazole
CID 91590115
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
2-[4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanol
CID 143269918
3-(3-methyl-2H-indazol-5-yl)-5-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-amine
CID 73035751
5-[5-[(3S)-3-benzylpiperazin-1-yl]-6-chloro-1,2,4-triazin-3-yl]-3-methyl-2H-indazole
CID 11553539
N-benzyl-3-(3-methyl-2H-indazol-5-yl)-5-(3-propan-2-ylpiperazin-1-yl)-1,2,4-triazin-6-amine
CID 73043663
5-[6-chloro-5-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-3-yl]-3-methyl-2H-indazole
CID 11610415
4-cyclopropyl-6-[(3S)-3-phenylpiperazin-1-yl]pyrimidine
CID 97145608
4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine
CID 166271344

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-(3-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-2H-indazole?
The IUPAC name of 3-methyl-5-[5-(3-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-2H-indazole (CID 91521289) is 3-methyl-5-[5-(3-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-2H-indazole.
What is the SMILES notation for 3-methyl-5-[5-(3-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-2H-indazole?
The canonical SMILES for 3-methyl-5-[5-(3-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-2H-indazole is Cc1[nH]nc2ccc(-c3nncc(N4CCNC(c5ccccc5)C4)n3)cc12.
What is the InChIKey of 3-methyl-5-[5-(3-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-2H-indazole?
The InChIKey is JNKBFAZUFIJDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7/c1-14-17-11-16(7-8-18(17)26-25-14)21-24-20(12-23-27-21)28-10-9-22-19(13-28)15-5-3-2-4-6-15/h2-8,11-12,19,22H,9-10,13H2,1H3,(H,25,26).
What are the key properties of 3-methyl-5-[5-(3-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-2H-indazole?
3-methyl-5-[5-(3-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-2H-indazole has a molecular weight of 371.45 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-(3-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-2H-indazole is sourced from PubChem (CID 91521289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).