5-(4-methylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazin-3-amine

C18H26N6 — CID 112945864

IUPAC5-(4-methylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazin-3-amine
SMILESCc1cccc(C(C)C)c1Nc1nncc(N2CCN(C)CC2)n1
InChIInChI=1S/C18H26N6/c1-13(2)15-7-5-6-14(3)17(15)21-18-20-16(12-19-22-18)24-10-8-23(4)9-11-24/h5-7,12-13H,8-11H2,1-4H3,(H,20,21,22)
InChIKeyJOTCJLUOTYFJDR-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.80
Rot. Bonds4

About 5-(4-methylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazin-3-amine

5-(4-methylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazin-3-amine (PubChem CID 112945864) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazin-3-amine
PubChem CID112945864
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name5-(4-methylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazin-3-amine
SMILESCc1cccc(C(C)C)c1Nc1nncc(N2CCN(C)CC2)n1
InChIInChI=1S/C18H26N6/c1-13(2)15-7-5-6-14(3)17(15)21-18-20-16(12-19-22-18)24-10-8-23(4)9-11-24/h5-7,12-13H,8-11H2,1-4H3,(H,20,21,22)
InChIKeyJOTCJLUOTYFJDR-UHFFFAOYSA-N
XLogP2.80
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-methylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazin-3-amine with MolForge

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Related Compounds

5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine
CID 112945843
4-(azepan-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine
CID 112926589
N-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945917
N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945916
N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945868
5-N-(4-methoxyphenyl)-3-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112965132
5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938601
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine
CID 112922874
4-N,4-N-diethyl-2-methyl-1-N-[5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-yl]benzene-1,4-diamine
CID 112945940
N-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941981
5-N-butan-2-yl-3-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112940818
4-[3-(2,4,6-trimethylanilino)-1,2,4-triazin-5-yl]piperazine-1-carbaldehyde
CID 112946569

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazin-3-amine (CID 112945864) is 5-(4-methylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazin-3-amine is Cc1cccc(C(C)C)c1Nc1nncc(N2CCN(C)CC2)n1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazin-3-amine?
The InChIKey is JOTCJLUOTYFJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-13(2)15-7-5-6-14(3)17(15)21-18-20-16(12-19-22-18)24-10-8-23(4)9-11-24/h5-7,12-13H,8-11H2,1-4H3,(H,20,21,22).
What are the key properties of 5-(4-methylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazin-3-amine?
5-(4-methylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazin-3-amine has a molecular weight of 326.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112945864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).