1-[4-[[3-(2-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone

C19H19N5O — CID 112964102

IUPAC1-[4-[[3-(2-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
SMILESCCc1ccccc1Nc1nncc(Nc2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C19H19N5O/c1-3-14-6-4-5-7-17(14)22-19-23-18(12-20-24-19)21-16-10-8-15(9-11-16)13(2)25/h4-12H,3H2,1-2H3,(H2,21,22,23,24)
InChIKeyHZIWWKSKTGXYNR-UHFFFAOYSA-N
MW333.40 g/mol
LogP4.12
Rot. Bonds6

About 1-[4-[[3-(2-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone

1-[4-[[3-(2-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone (PubChem CID 112964102) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-[4-[[3-(2-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-(2-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
PubChem CID112964102
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name1-[4-[[3-(2-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
SMILESCCc1ccccc1Nc1nncc(Nc2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C19H19N5O/c1-3-14-6-4-5-7-17(14)22-19-23-18(12-20-24-19)21-16-10-8-15(9-11-16)13(2)25/h4-12H,3H2,1-2H3,(H2,21,22,23,24)
InChIKeyHZIWWKSKTGXYNR-UHFFFAOYSA-N
XLogP4.12
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[[3-(2-propan-2-yloxyanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112967821
1-[4-[[5-(2-bromoanilino)-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112968448
1-[4-[[5-[4-(diethylamino)anilino]-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112968441
3-N-(2-ethylphenyl)-5-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964111
1-[4-[[5-(2,3-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112963851
1-[4-[[3-(butylamino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112940209
1-[4-[[3-(4-propan-2-yloxyanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112967900
1-[4-[[3-[2,6-di(propan-2-yl)anilino]-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112968409
ethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]benzoate
CID 112961606
1-[4-[[3-(3,4-dimethoxyanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112968120
3-N-(2-ethylphenyl)-5-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940363
methyl 3-[[3-(4-acetylanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112968437

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(2-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[3-(2-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone (CID 112964102) is 1-[4-[[3-(2-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[3-(2-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[3-(2-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone is CCc1ccccc1Nc1nncc(Nc2ccc(C(C)=O)cc2)n1.
What is the InChIKey of 1-[4-[[3-(2-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone?
The InChIKey is HZIWWKSKTGXYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-3-14-6-4-5-7-17(14)22-19-23-18(12-20-24-19)21-16-10-8-15(9-11-16)13(2)25/h4-12H,3H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 1-[4-[[3-(2-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone?
1-[4-[[3-(2-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone has a molecular weight of 333.40 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(2-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone is sourced from PubChem (CID 112964102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).