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

C23H32N4O3 — CID 135871834

IUPACN-cyclohexyl-N-methyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
SMILESCC(C)COc1ccc(-c2nnc(CCC(=O)N(C)C3CCCCC3)c(=O)[nH]2)cc1
InChIInChI=1S/C23H32N4O3/c1-16(2)15-30-19-11-9-17(10-12-19)22-24-23(29)20(25-26-22)13-14-21(28)27(3)18-7-5-4-6-8-18/h9-12,16,18H,4-8,13-15H2,1-3H3,(H,24,26,29)
InChIKeyXHQNGFCUXCUKKD-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.59
Rot. Bonds8

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

N-cyclohexyl-N-methyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide (PubChem CID 135871834) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
PubChem CID135871834
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-cyclohexyl-N-methyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
SMILESCC(C)COc1ccc(-c2nnc(CCC(=O)N(C)C3CCCCC3)c(=O)[nH]2)cc1
InChIInChI=1S/C23H32N4O3/c1-16(2)15-30-19-11-9-17(10-12-19)22-24-23(29)20(25-26-22)13-14-21(28)27(3)18-7-5-4-6-8-18/h9-12,16,18H,4-8,13-15H2,1-3H3,(H,24,26,29)
InChIKeyXHQNGFCUXCUKKD-UHFFFAOYSA-N
XLogP3.59
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135871829
N-cyclopentyl-3-[3-[3-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135868535
N-(cyclopropylmethyl)-3-[3-(4-ethoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135859059
N-cyclohexyl-3-[3-[4-(2-methoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135871818
3-[3-[4-[(2S)-butan-2-yl]oxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(cyclohexylmethyl)propanamide
CID 136836822
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
N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide
CID 135872323
3-[5-oxo-3-(4-propan-2-yloxyphenyl)-4H-1,2,4-triazin-6-yl]propanoic acid
CID 135871624
ethyl (3S)-1-[3-[3-(4-butoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanoyl]piperidine-3-carboxylate
CID 136836789
N-cyclopropyl-3-[5-oxo-3-(4-prop-2-enoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide
CID 135859050
ethyl 1-[3-[3-[4-(2-methoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanoyl]piperidine-3-carboxylate
CID 135868346

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
The IUPAC name of N-cyclohexyl-N-methyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide (CID 135871834) is N-cyclohexyl-N-methyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
The canonical SMILES for N-cyclohexyl-N-methyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide is CC(C)COc1ccc(-c2nnc(CCC(=O)N(C)C3CCCCC3)c(=O)[nH]2)cc1.
What is the InChIKey of N-cyclohexyl-N-methyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
The InChIKey is XHQNGFCUXCUKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-16(2)15-30-19-11-9-17(10-12-19)22-24-23(29)20(25-26-22)13-14-21(28)27(3)18-7-5-4-6-8-18/h9-12,16,18H,4-8,13-15H2,1-3H3,(H,24,26,29).
What are the key properties of N-cyclohexyl-N-methyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
N-cyclohexyl-N-methyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide has a molecular weight of 412.53 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide is sourced from PubChem (CID 135871834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).