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

C16H20N6O2 — CID 112947103

IUPAC1-[4-[5-(2-methoxyanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
SMILESCOc1ccccc1Nc1cnnc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C16H20N6O2/c1-12(23)21-7-9-22(10-8-21)16-19-15(11-17-20-16)18-13-5-3-4-6-14(13)24-2/h3-6,11H,7-10H2,1-2H3,(H,18,19,20)
InChIKeyLLRZPNZOEVDQFA-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.29
Rot. Bonds4

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

1-[4-[5-(2-methoxyanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 112947103) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-[4-[5-(2-methoxyanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(2-methoxyanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
PubChem CID112947103
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name1-[4-[5-(2-methoxyanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
SMILESCOc1ccccc1Nc1cnnc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C16H20N6O2/c1-12(23)21-7-9-22(10-8-21)16-19-15(11-17-20-16)18-13-5-3-4-6-14(13)24-2/h3-6,11H,7-10H2,1-2H3,(H,18,19,20)
InChIKeyLLRZPNZOEVDQFA-UHFFFAOYSA-N
XLogP1.29
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[5-(2-propan-2-ylanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947081
1-[4-[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947154
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyphenyl)-1,2,4-triazin-5-amine
CID 112957485
1-[4-[5-(quinolin-8-ylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947143
ethyl 4-[5-(2,4-dimethoxyanilino)-1,2,4-triazin-3-yl]piperazine-1-carboxylate
CID 112957153
methyl 2-[[3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]benzoate
CID 112946431
[4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone
CID 134799674
N-(2,4-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957389
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946068
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-bromophenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946094

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2-methoxyanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(2-methoxyanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone (CID 112947103) is 1-[4-[5-(2-methoxyanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(2-methoxyanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(2-methoxyanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone is COc1ccccc1Nc1cnnc(N2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 1-[4-[5-(2-methoxyanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is LLRZPNZOEVDQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-12(23)21-7-9-22(10-8-21)16-19-15(11-17-20-16)18-13-5-3-4-6-14(13)24-2/h3-6,11H,7-10H2,1-2H3,(H,18,19,20).
What are the key properties of 1-[4-[5-(2-methoxyanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
1-[4-[5-(2-methoxyanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 328.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2-methoxyanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112947103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).