1-[4-[5-(2-propan-2-ylanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone

C18H24N6O — CID 112947081

IUPAC1-[4-[5-(2-propan-2-ylanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nncc(Nc3ccccc3C(C)C)n2)CC1
InChIInChI=1S/C18H24N6O/c1-13(2)15-6-4-5-7-16(15)20-17-12-19-22-18(21-17)24-10-8-23(9-11-24)14(3)25/h4-7,12-13H,8-11H2,1-3H3,(H,20,21,22)
InChIKeyJWUPJYKNOABVED-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.41
Rot. Bonds4

About 1-[4-[5-(2-propan-2-ylanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone

1-[4-[5-(2-propan-2-ylanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 112947081) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[4-[5-(2-propan-2-ylanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(2-propan-2-ylanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
PubChem CID112947081
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name1-[4-[5-(2-propan-2-ylanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nncc(Nc3ccccc3C(C)C)n2)CC1
InChIInChI=1S/C18H24N6O/c1-13(2)15-6-4-5-7-16(15)20-17-12-19-22-18(21-17)24-10-8-23(9-11-24)14(3)25/h4-7,12-13H,8-11H2,1-3H3,(H,20,21,22)
InChIKeyJWUPJYKNOABVED-UHFFFAOYSA-N
XLogP2.41
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[5-(2-propan-2-ylanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[5-(2-methoxyanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947103
1-[4-[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947154
1-[4-[5-(quinolin-8-ylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947143
3-(azepan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazin-5-amine
CID 112961435
N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946094
1-[4-[5-[4-(diethylamino)-2-methylanilino]-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947157
1-[4-[5-(propylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112938312
N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899006
N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957650
[4-[5-(2-chloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112957825
methyl 2-[[3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]benzoate
CID 112946431
6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112914037

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2-propan-2-ylanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(2-propan-2-ylanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone (CID 112947081) is 1-[4-[5-(2-propan-2-ylanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(2-propan-2-ylanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(2-propan-2-ylanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nncc(Nc3ccccc3C(C)C)n2)CC1.
What is the InChIKey of 1-[4-[5-(2-propan-2-ylanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is JWUPJYKNOABVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-13(2)15-6-4-5-7-16(15)20-17-12-19-22-18(21-17)24-10-8-23(9-11-24)14(3)25/h4-7,12-13H,8-11H2,1-3H3,(H,20,21,22).
What are the key properties of 1-[4-[5-(2-propan-2-ylanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
1-[4-[5-(2-propan-2-ylanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 340.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2-propan-2-ylanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112947081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).