3-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-5-amine

C17H24N6 — CID 112946039

IUPAC3-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-5-amine
SMILESCC(C)c1ccc(Nc2cnnc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C17H24N6/c1-13(2)14-4-6-15(7-5-14)19-16-12-18-21-17(20-16)23-10-8-22(3)9-11-23/h4-7,12-13H,8-11H2,1-3H3,(H,19,20,21)
InChIKeyOSJTWKNQABWWFW-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.49
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-5-amine

3-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-5-amine (PubChem CID 112946039) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-5-amine
PubChem CID112946039
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name3-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-5-amine
SMILESCC(C)c1ccc(Nc2cnnc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C17H24N6/c1-13(2)14-4-6-15(7-5-14)19-16-12-18-21-17(20-16)23-10-8-22(3)9-11-23/h4-7,12-13H,8-11H2,1-3H3,(H,19,20,21)
InChIKeyOSJTWKNQABWWFW-UHFFFAOYSA-N
XLogP2.49
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946107
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 99968449
N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946094
N-(5-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946051
N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955539
4-[5-(4-chloroanilino)-1,2,4-triazin-3-yl]piperazine-1-carbaldehyde
CID 112946753
N-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112961512
3-(azepan-1-yl)-N-(4-bromophenyl)-1,2,4-triazin-5-amine
CID 112961392
3-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazin-5-amine
CID 112962724
3-(azepan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazin-5-amine
CID 112961435
N-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942863
N-(4-tert-butylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 112944290

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-5-amine (CID 112946039) is 3-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-5-amine is CC(C)c1ccc(Nc2cnnc(N3CCN(C)CC3)n2)cc1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-5-amine?
The InChIKey is OSJTWKNQABWWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-13(2)14-4-6-15(7-5-14)19-16-12-18-21-17(20-16)23-10-8-22(3)9-11-23/h4-7,12-13H,8-11H2,1-3H3,(H,19,20,21).
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-5-amine?
3-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-5-amine has a molecular weight of 312.42 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112946039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).