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

C17H24N6O — CID 112938778

IUPAC3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine
SMILESCOc1ccc(N2CCN(c3nncc(NC(C)C)n3)CC2)cc1
InChIInChI=1S/C17H24N6O/c1-13(2)19-16-12-18-21-17(20-16)23-10-8-22(9-11-23)14-4-6-15(24-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,19,20,21)
InChIKeyRUUYXFDPECJFSL-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.03
Rot. Bonds5

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

3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine (PubChem CID 112938778) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine
PubChem CID112938778
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine
SMILESCOc1ccc(N2CCN(c3nncc(NC(C)C)n3)CC2)cc1
InChIInChI=1S/C17H24N6O/c1-13(2)19-16-12-18-21-17(20-16)23-10-8-22(9-11-23)14-4-6-15(24-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,19,20,21)
InChIKeyRUUYXFDPECJFSL-UHFFFAOYSA-N
XLogP2.03
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112961512
3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine
CID 112938752
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine
CID 112944782
3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)-1,2,4-triazin-5-amine
CID 112952831
N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112954337
N-[2-(4-methoxyphenoxy)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942061
N-[(4-methoxyphenyl)methyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112951053
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
CID 112950754
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946068
N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955539
N-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112940719
N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112901738

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine (CID 112938778) is 3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine is COc1ccc(N2CCN(c3nncc(NC(C)C)n3)CC2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine?
The InChIKey is RUUYXFDPECJFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13(2)19-16-12-18-21-17(20-16)23-10-8-22(9-11-23)14-4-6-15(24-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,19,20,21).
What are the key properties of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine?
3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine has a molecular weight of 328.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 112938778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).