3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine

C17H24N6 — CID 112938752

IUPAC3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine
SMILESCc1cccc(N2CCN(c3nncc(NC(C)C)n3)CC2)c1
InChIInChI=1S/C17H24N6/c1-13(2)19-16-12-18-21-17(20-16)23-9-7-22(8-10-23)15-6-4-5-14(3)11-15/h4-6,11-13H,7-10H2,1-3H3,(H,19,20,21)
InChIKeyWRQQQOAIRXARKH-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.33
Rot. Bonds4

About 3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine

3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine (PubChem CID 112938752) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine
PubChem CID112938752
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine
SMILESCc1cccc(N2CCN(c3nncc(NC(C)C)n3)CC2)c1
InChIInChI=1S/C17H24N6/c1-13(2)19-16-12-18-21-17(20-16)23-9-7-22(8-10-23)15-6-4-5-14(3)11-15/h4-6,11-13H,7-10H2,1-3H3,(H,19,20,21)
InChIKeyWRQQQOAIRXARKH-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
CID 112957281
2-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidin-4-amine
CID 112882024
N-(2-fluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957301
2-[4-(3-methylphenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine
CID 112932695
3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine
CID 112938778
N-(2,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957323
5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945994
N-(3-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942079
N-(2,5-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955547
3-(azepan-1-yl)-N-[(3-methylphenyl)methyl]-1,2,4-triazin-5-amine
CID 112948261
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112957549
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine
CID 112938357

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine (CID 112938752) is 3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine is Cc1cccc(N2CCN(c3nncc(NC(C)C)n3)CC2)c1.
What is the InChIKey of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine?
The InChIKey is WRQQQOAIRXARKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-13(2)19-16-12-18-21-17(20-16)23-9-7-22(8-10-23)15-6-4-5-14(3)11-15/h4-6,11-13H,7-10H2,1-3H3,(H,19,20,21).
What are the key properties of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine?
3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine has a molecular weight of 312.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 112938752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).