(2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C15H20N6O — CID 72885363

IUPAC(2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCC(c3nncn3C)CC2)cn1
InChIInChI=1S/C15H20N6O/c1-3-13-16-8-12(9-17-13)15(22)21-6-4-11(5-7-21)14-19-18-10-20(14)2/h8-11H,3-7H2,1-2H3
InChIKeyUFOZLDQDZILTIQ-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.19
Rot. Bonds3

About (2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

(2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 72885363) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is (2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID72885363
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCC(c3nncn3C)CC2)cn1
InChIInChI=1S/C15H20N6O/c1-3-13-16-8-12(9-17-13)15(22)21-6-4-11(5-7-21)14-19-18-10-20(14)2/h8-11H,3-7H2,1-2H3
InChIKeyUFOZLDQDZILTIQ-UHFFFAOYSA-N
XLogP1.19
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 95841300
[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(2-phenylethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176504399
(1-ethylbenzotriazol-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 38005043
(1-methyl-3-propylpyrazol-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 70706570
methyl 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropanoate
CID 134069581
5-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 134069580
[(1S,3R)-3-aminocyclopentyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 154895005
(6-methyl-3-pyridinyl)-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192642
[1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 70784414
(4-methylpiperidin-1-yl)-[6-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-pyridinyl]methanone
CID 75438045
[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R)-1-propan-2-ylpiperidin-3-yl]methanone
CID 97198787
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 72896818

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 72885363) is (2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is CCc1ncc(C(=O)N2CCC(c3nncn3C)CC2)cn1.
What is the InChIKey of (2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is UFOZLDQDZILTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-3-13-16-8-12(9-17-13)15(22)21-6-4-11(5-7-21)14-19-18-10-20(14)2/h8-11H,3-7H2,1-2H3.
What are the key properties of (2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 300.37 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 72885363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).