3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide

C18H20N6O2 — CID 137027875

IUPAC3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCCCc1cc(-c2cccc(C(=O)NCc3n[nH]c(=O)[nH]3)c2)nc(C)n1
InChIInChI=1S/C18H20N6O2/c1-3-5-14-9-15(21-11(2)20-14)12-6-4-7-13(8-12)17(25)19-10-16-22-18(26)24-23-16/h4,6-9H,3,5,10H2,1-2H3,(H,19,25)(H2,22,23,24,26)
InChIKeyWSVMSLYEQMZBKU-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.75
Rot. Bonds6

About 3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide

3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 137027875) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID137027875
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCCCc1cc(-c2cccc(C(=O)NCc3n[nH]c(=O)[nH]3)c2)nc(C)n1
InChIInChI=1S/C18H20N6O2/c1-3-5-14-9-15(21-11(2)20-14)12-6-4-7-13(8-12)17(25)19-10-16-22-18(26)24-23-16/h4,6-9H,3,5,10H2,1-2H3,(H,19,25)(H2,22,23,24,26)
InChIKeyWSVMSLYEQMZBKU-UHFFFAOYSA-N
XLogP1.75
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-tert-butylphenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 137092374
3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]benzamide
CID 125435137
4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 136993204
3-(6-ethyl-2-methylpyrimidin-4-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide
CID 118769642
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide
CID 91773131
[(3R)-3-hydroxypyrrolidin-1-yl]-[3-(2-methyl-6-propylpyrimidin-4-yl)phenyl]methanone
CID 122565117
3,5-dibromo-4-hydroxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 138044542
N-methyl-3-(2-methyl-6-propylpyrimidin-4-yl)-N-(1-pyrimidin-4-ylethyl)benzamide
CID 122568737
2,7-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 137001767
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazole-5-carboxamide
CID 137196607
2-(2,2-dimethylpropyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 138026413
N-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808510

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide (CID 137027875) is 3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide is CCCc1cc(-c2cccc(C(=O)NCc3n[nH]c(=O)[nH]3)c2)nc(C)n1.
What is the InChIKey of 3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is WSVMSLYEQMZBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-3-5-14-9-15(21-11(2)20-14)12-6-4-7-13(8-12)17(25)19-10-16-22-18(26)24-23-16/h4,6-9H,3,5,10H2,1-2H3,(H,19,25)(H2,22,23,24,26).
What are the key properties of 3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide?
3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 352.40 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 137027875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).