3-(3-methyl-2H-indazol-5-yl)-5-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-amine

C16H20N8 — CID 73035751

IUPAC3-(3-methyl-2H-indazol-5-yl)-5-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-amine
SMILESCc1[nH]nc2ccc(-c3nnc(N)c(N4CCNC(C)C4)n3)cc12
InChIInChI=1S/C16H20N8/c1-9-8-24(6-5-18-9)16-14(17)22-23-15(19-16)11-3-4-13-12(7-11)10(2)20-21-13/h3-4,7,9,18H,5-6,8H2,1-2H3,(H2,17,22)(H,20,21)
InChIKeyQOPGEIHSFQKWQU-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.10
Rot. Bonds2

About 3-(3-methyl-2H-indazol-5-yl)-5-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-amine

3-(3-methyl-2H-indazol-5-yl)-5-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-amine (PubChem CID 73035751) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is 3-(3-methyl-2H-indazol-5-yl)-5-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-amine.

Molecular Properties

Compound Name3-(3-methyl-2H-indazol-5-yl)-5-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-amine
PubChem CID73035751
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name3-(3-methyl-2H-indazol-5-yl)-5-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-amine
SMILESCc1[nH]nc2ccc(-c3nnc(N)c(N4CCNC(C)C4)n3)cc12
InChIInChI=1S/C16H20N8/c1-9-8-24(6-5-18-9)16-14(17)22-23-15(19-16)11-3-4-13-12(7-11)10(2)20-21-13/h3-4,7,9,18H,5-6,8H2,1-2H3,(H2,17,22)(H,20,21)
InChIKeyQOPGEIHSFQKWQU-UHFFFAOYSA-N
XLogP1.10
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-(3-methyl-2H-indazol-5-yl)-5-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[6-chloro-5-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-3-yl]-3-methyl-2H-indazole
CID 11610415
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
3-methyl-5-[5-(3-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-2H-indazole
CID 91521289
1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidin-3-amine
CID 11673967
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
5-[5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-chloro-2H-indazole
CID 91590115
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-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-yl-2,6-naphthyridine
CID 68596700
5-[6-chloro-3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-5-ium
CID 87649837

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2H-indazol-5-yl)-5-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-amine?
The IUPAC name of 3-(3-methyl-2H-indazol-5-yl)-5-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-amine (CID 73035751) is 3-(3-methyl-2H-indazol-5-yl)-5-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-amine.
What is the SMILES notation for 3-(3-methyl-2H-indazol-5-yl)-5-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-amine?
The canonical SMILES for 3-(3-methyl-2H-indazol-5-yl)-5-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-amine is Cc1[nH]nc2ccc(-c3nnc(N)c(N4CCNC(C)C4)n3)cc12.
What is the InChIKey of 3-(3-methyl-2H-indazol-5-yl)-5-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-amine?
The InChIKey is QOPGEIHSFQKWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8/c1-9-8-24(6-5-18-9)16-14(17)22-23-15(19-16)11-3-4-13-12(7-11)10(2)20-21-13/h3-4,7,9,18H,5-6,8H2,1-2H3,(H2,17,22)(H,20,21).
What are the key properties of 3-(3-methyl-2H-indazol-5-yl)-5-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-amine?
3-(3-methyl-2H-indazol-5-yl)-5-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-amine has a molecular weight of 324.39 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2H-indazol-5-yl)-5-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-amine is sourced from PubChem (CID 73035751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).