N-cyclopropyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide

C19H24N4O3 — CID 135871829

IUPACN-cyclopropyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
SMILESCC(C)COc1ccc(-c2nnc(CCC(=O)NC3CC3)c(=O)[nH]2)cc1
InChIInChI=1S/C19H24N4O3/c1-12(2)11-26-15-7-3-13(4-8-15)18-21-19(25)16(22-23-18)9-10-17(24)20-14-5-6-14/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3,(H,20,24)(H,21,23,25)
InChIKeyHDCMAHCALFYCEO-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.08
Rot. Bonds8

About N-cyclopropyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide

N-cyclopropyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide (PubChem CID 135871829) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
PubChem CID135871829
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-cyclopropyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
SMILESCC(C)COc1ccc(-c2nnc(CCC(=O)NC3CC3)c(=O)[nH]2)cc1
InChIInChI=1S/C19H24N4O3/c1-12(2)11-26-15-7-3-13(4-8-15)18-21-19(25)16(22-23-18)9-10-17(24)20-14-5-6-14/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3,(H,20,24)(H,21,23,25)
InChIKeyHDCMAHCALFYCEO-UHFFFAOYSA-N
XLogP2.08
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-3-[3-[3-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135868535
N-cyclopropyl-3-[5-oxo-3-(4-prop-2-enoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide
CID 135859050
N-cyclohexyl-3-[3-[4-(2-methoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135871818
N-cyclohexyl-N-methyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135871834
3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 135871833
3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 135871831
3-[3-(3-chloro-4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-cyclopentylpropanamide
CID 135859663
3-[3-[4-[(2S)-butan-2-yl]oxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(cyclohexylmethyl)propanamide
CID 136836822
N-cyclohexyl-3-[5-oxo-3-(3-prop-2-enoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide
CID 135871905
3-[5-oxo-3-(4-propan-2-yloxyphenyl)-4H-1,2,4-triazin-6-yl]propanoic acid
CID 135871624
3-[3-(3-but-3-enoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-cyclopentylpropanamide
CID 135859291
N-[(3-methylphenyl)methyl]-3-[3-[3-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135868532

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide (CID 135871829) is N-cyclopropyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide is CC(C)COc1ccc(-c2nnc(CCC(=O)NC3CC3)c(=O)[nH]2)cc1.
What is the InChIKey of N-cyclopropyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
The InChIKey is HDCMAHCALFYCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12(2)11-26-15-7-3-13(4-8-15)18-21-19(25)16(22-23-18)9-10-17(24)20-14-5-6-14/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3,(H,20,24)(H,21,23,25).
What are the key properties of N-cyclopropyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
N-cyclopropyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide has a molecular weight of 356.43 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide is sourced from PubChem (CID 135871829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).