N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide

C22H26N4O3 — CID 55622090

IUPACN-[1-(4-methoxyphenyl)-2-methylpropyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCOc1ccc(C(NC(=O)C2=NCC(=O)N(c3ccc(C)cc3)N2)C(C)C)cc1
InChIInChI=1S/C22H26N4O3/c1-14(2)20(16-7-11-18(29-4)12-8-16)24-22(28)21-23-13-19(27)26(25-21)17-9-5-15(3)6-10-17/h5-12,14,20H,13H2,1-4H3,(H,23,25)(H,24,28)
InChIKeyHRTCEFOZUMPQOP-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.77
Rot. Bonds6

About N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide

N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide (PubChem CID 55622090) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-methylpropyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide
PubChem CID55622090
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[1-(4-methoxyphenyl)-2-methylpropyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCOc1ccc(C(NC(=O)C2=NCC(=O)N(c3ccc(C)cc3)N2)C(C)C)cc1
InChIInChI=1S/C22H26N4O3/c1-14(2)20(16-7-11-18(29-4)12-8-16)24-22(28)21-23-13-19(27)26(25-21)17-9-5-15(3)6-10-17/h5-12,14,20H,13H2,1-4H3,(H,23,25)(H,24,28)
InChIKeyHRTCEFOZUMPQOP-UHFFFAOYSA-N
XLogP2.77
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide (CID 55622090) is N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide is COc1ccc(C(NC(=O)C2=NCC(=O)N(c3ccc(C)cc3)N2)C(C)C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The InChIKey is HRTCEFOZUMPQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14(2)20(16-7-11-18(29-4)12-8-16)24-22(28)21-23-13-19(27)26(25-21)17-9-5-15(3)6-10-17/h5-12,14,20H,13H2,1-4H3,(H,23,25)(H,24,28).
What are the key properties of N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide?
N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 55622090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).