N-[2-(diethylamino)ethyl]-5-methyl-N-(2-methylpropyl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

C21H33N5O2 — CID 60557061

IUPACN-[2-(diethylamino)ethyl]-5-methyl-N-(2-methylpropyl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCCN(CC)CCN(CC(C)C)C(=O)C1=NC(C)C(=O)N(c2ccccc2)N1
InChIInChI=1S/C21H33N5O2/c1-6-24(7-2)13-14-25(15-16(3)4)21(28)19-22-17(5)20(27)26(23-19)18-11-9-8-10-12-18/h8-12,16-17H,6-7,13-15H2,1-5H3,(H,22,23)
InChIKeySSFBJJRRBTUZAI-UHFFFAOYSA-N
MW387.53 g/mol
LogP2.15
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-5-methyl-N-(2-methylpropyl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

N-[2-(diethylamino)ethyl]-5-methyl-N-(2-methylpropyl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (PubChem CID 60557061) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-methyl-N-(2-methylpropyl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-methyl-N-(2-methylpropyl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
PubChem CID60557061
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC NameN-[2-(diethylamino)ethyl]-5-methyl-N-(2-methylpropyl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCCN(CC)CCN(CC(C)C)C(=O)C1=NC(C)C(=O)N(c2ccccc2)N1
InChIInChI=1S/C21H33N5O2/c1-6-24(7-2)13-14-25(15-16(3)4)21(28)19-22-17(5)20(27)26(23-19)18-11-9-8-10-12-18/h8-12,16-17H,6-7,13-15H2,1-5H3,(H,22,23)
InChIKeySSFBJJRRBTUZAI-UHFFFAOYSA-N
XLogP2.15
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-methyl-N-(2-methylpropyl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-methyl-N-(2-methylpropyl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (CID 60557061) is N-[2-(diethylamino)ethyl]-5-methyl-N-(2-methylpropyl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-methyl-N-(2-methylpropyl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-methyl-N-(2-methylpropyl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is CCN(CC)CCN(CC(C)C)C(=O)C1=NC(C)C(=O)N(c2ccccc2)N1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-methyl-N-(2-methylpropyl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The InChIKey is SSFBJJRRBTUZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-6-24(7-2)13-14-25(15-16(3)4)21(28)19-22-17(5)20(27)26(23-19)18-11-9-8-10-12-18/h8-12,16-17H,6-7,13-15H2,1-5H3,(H,22,23).
What are the key properties of N-[2-(diethylamino)ethyl]-5-methyl-N-(2-methylpropyl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
N-[2-(diethylamino)ethyl]-5-methyl-N-(2-methylpropyl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-methyl-N-(2-methylpropyl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 60557061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).