5,6-bis(2-methoxyphenyl)-N-propan-2-yl-1,2,4-triazin-3-amine

C20H22N4O2 — CID 46953104

IUPAC5,6-bis(2-methoxyphenyl)-N-propan-2-yl-1,2,4-triazin-3-amine
SMILESCOc1ccccc1-c1nnc(NC(C)C)nc1-c1ccccc1OC
InChIInChI=1S/C20H22N4O2/c1-13(2)21-20-22-18(14-9-5-7-11-16(14)25-3)19(23-24-20)15-10-6-8-12-17(15)26-4/h5-13H,1-4H3,(H,21,22,24)
InChIKeyYVXYDABWEZEUIO-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.04
Rot. Bonds6

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

5,6-bis(2-methoxyphenyl)-N-propan-2-yl-1,2,4-triazin-3-amine (PubChem CID 46953104) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5,6-bis(2-methoxyphenyl)-N-propan-2-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-bis(2-methoxyphenyl)-N-propan-2-yl-1,2,4-triazin-3-amine
PubChem CID46953104
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5,6-bis(2-methoxyphenyl)-N-propan-2-yl-1,2,4-triazin-3-amine
SMILESCOc1ccccc1-c1nnc(NC(C)C)nc1-c1ccccc1OC
InChIInChI=1S/C20H22N4O2/c1-13(2)21-20-22-18(14-9-5-7-11-16(14)25-3)19(23-24-20)15-10-6-8-12-17(15)26-4/h5-13H,1-4H3,(H,21,22,24)
InChIKeyYVXYDABWEZEUIO-UHFFFAOYSA-N
XLogP4.04
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(2-methoxyphenyl)-N-propan-2-yl-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-bis(2-methoxyphenyl)-N-propan-2-yl-1,2,4-triazin-3-amine (CID 46953104) is 5,6-bis(2-methoxyphenyl)-N-propan-2-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-bis(2-methoxyphenyl)-N-propan-2-yl-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-bis(2-methoxyphenyl)-N-propan-2-yl-1,2,4-triazin-3-amine is COc1ccccc1-c1nnc(NC(C)C)nc1-c1ccccc1OC.
What is the InChIKey of 5,6-bis(2-methoxyphenyl)-N-propan-2-yl-1,2,4-triazin-3-amine?
The InChIKey is YVXYDABWEZEUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13(2)21-20-22-18(14-9-5-7-11-16(14)25-3)19(23-24-20)15-10-6-8-12-17(15)26-4/h5-13H,1-4H3,(H,21,22,24).
What are the key properties of 5,6-bis(2-methoxyphenyl)-N-propan-2-yl-1,2,4-triazin-3-amine?
5,6-bis(2-methoxyphenyl)-N-propan-2-yl-1,2,4-triazin-3-amine has a molecular weight of 350.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(2-methoxyphenyl)-N-propan-2-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 46953104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).