5,6-bis(4-methoxyphenyl)-N-prop-2-enyl-1,2,4-triazin-3-amine

C20H20N4O2 — CID 3062888

IUPAC5,6-bis(4-methoxyphenyl)-N-prop-2-enyl-1,2,4-triazin-3-amine
SMILESC=CCNc1nnc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1
InChIInChI=1S/C20H20N4O2/c1-4-13-21-20-22-18(14-5-9-16(25-2)10-6-14)19(23-24-20)15-7-11-17(26-3)12-8-15/h4-12H,1,13H2,2-3H3,(H,21,22,24)
InChIKeyCLOFTSRIUIZNII-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.82
Rot. Bonds7

About 5,6-bis(4-methoxyphenyl)-N-prop-2-enyl-1,2,4-triazin-3-amine

5,6-bis(4-methoxyphenyl)-N-prop-2-enyl-1,2,4-triazin-3-amine (PubChem CID 3062888) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 5,6-bis(4-methoxyphenyl)-N-prop-2-enyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-bis(4-methoxyphenyl)-N-prop-2-enyl-1,2,4-triazin-3-amine
PubChem CID3062888
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name5,6-bis(4-methoxyphenyl)-N-prop-2-enyl-1,2,4-triazin-3-amine
SMILESC=CCNc1nnc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1
InChIInChI=1S/C20H20N4O2/c1-4-13-21-20-22-18(14-5-9-16(25-2)10-6-14)19(23-24-20)15-7-11-17(26-3)12-8-15/h4-12H,1,13H2,2-3H3,(H,21,22,24)
InChIKeyCLOFTSRIUIZNII-UHFFFAOYSA-N
XLogP3.82
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
Anitrazafen
CID 44410
4-[(E)-{2-[5-(4-Methoxyphenyl)-1,2,4-triazin-3-YL]hydrazin-1-ylidene}methyl]phenol
CID 135439774
4-(3-Amino-5-phenyl-1,2,4-triazin-6-yl)-2,6-dimethylphenol
CID 136074047
N~1~-[(E)-(4-methoxyphenyl)methylidene]-4-phenyl-1H-imidazole-1,2-diamine
CID 6858585
as-Triazine, 3-hydrazino-5-(4-methoxyphenyl)-
CID 3042264
5-(Aminomethyl)-6-(4-methoxyphenyl)-2-phenylpyrimidin-4-amine
CID 10236556
2-{[5,6-Bis(4-ethoxyphenyl)-1,2,4-triazin-3-YL]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
CID 6411895
3,4-Dimethoxybenzaldehyde [5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazone
CID 9776892
2-{[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-YL]sulfanyl}-N-cyclohexylbutanamide
CID 16034145
N-[(4-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
CID 46742341
4-(4-Methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile
CID 166631915

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methoxyphenyl)-N-prop-2-enyl-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-bis(4-methoxyphenyl)-N-prop-2-enyl-1,2,4-triazin-3-amine (CID 3062888) is 5,6-bis(4-methoxyphenyl)-N-prop-2-enyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-bis(4-methoxyphenyl)-N-prop-2-enyl-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-bis(4-methoxyphenyl)-N-prop-2-enyl-1,2,4-triazin-3-amine is C=CCNc1nnc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1.
What is the InChIKey of 5,6-bis(4-methoxyphenyl)-N-prop-2-enyl-1,2,4-triazin-3-amine?
The InChIKey is CLOFTSRIUIZNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-4-13-21-20-22-18(14-5-9-16(25-2)10-6-14)19(23-24-20)15-7-11-17(26-3)12-8-15/h4-12H,1,13H2,2-3H3,(H,21,22,24).
What are the key properties of 5,6-bis(4-methoxyphenyl)-N-prop-2-enyl-1,2,4-triazin-3-amine?
5,6-bis(4-methoxyphenyl)-N-prop-2-enyl-1,2,4-triazin-3-amine has a molecular weight of 348.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-methoxyphenyl)-N-prop-2-enyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 3062888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).