[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-pyrimidin-5-ylmethanone

C14H18N6O — CID 170985678

IUPAC[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-pyrimidin-5-ylmethanone
SMILESCCN1CCC(n2cc(C(=O)c3cncnc3)nn2)CC1
InChIInChI=1S/C14H18N6O/c1-2-19-5-3-12(4-6-19)20-9-13(17-18-20)14(21)11-7-15-10-16-8-11/h7-10,12H,2-6H2,1H3
InChIKeyCGUXWPDUVSZCJL-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.96
Rot. Bonds4

About [1-(1-ethylpiperidin-4-yl)triazol-4-yl]-pyrimidin-5-ylmethanone

[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-pyrimidin-5-ylmethanone (PubChem CID 170985678) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is [1-(1-ethylpiperidin-4-yl)triazol-4-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-pyrimidin-5-ylmethanone
PubChem CID170985678
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-pyrimidin-5-ylmethanone
SMILESCCN1CCC(n2cc(C(=O)c3cncnc3)nn2)CC1
InChIInChI=1S/C14H18N6O/c1-2-19-5-3-12(4-6-19)20-9-13(17-18-20)14(21)11-7-15-10-16-8-11/h7-10,12H,2-6H2,1H3
InChIKeyCGUXWPDUVSZCJL-UHFFFAOYSA-N
XLogP0.96
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate
CID 58493124
1-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 167950050
methyl 1-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]triazole-4-carboxylate
CID 75456867
1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide
CID 135077480
N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26399029
1-[1-(2-ethylsulfonylethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311999
(3-chloro-4-methylphenyl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 107561271
1-(1-cyclopropyltriazol-4-yl)-2-methylpropan-1-one
CID 164754371
[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]methanethiol
CID 155403635
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid
CID 25219694
2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine
CID 46990920
ethyl 1-(thian-4-yl)triazole-4-carboxylate
CID 122241137

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylpiperidin-4-yl)triazol-4-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [1-(1-ethylpiperidin-4-yl)triazol-4-yl]-pyrimidin-5-ylmethanone (CID 170985678) is [1-(1-ethylpiperidin-4-yl)triazol-4-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [1-(1-ethylpiperidin-4-yl)triazol-4-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [1-(1-ethylpiperidin-4-yl)triazol-4-yl]-pyrimidin-5-ylmethanone is CCN1CCC(n2cc(C(=O)c3cncnc3)nn2)CC1.
What is the InChIKey of [1-(1-ethylpiperidin-4-yl)triazol-4-yl]-pyrimidin-5-ylmethanone?
The InChIKey is CGUXWPDUVSZCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-2-19-5-3-12(4-6-19)20-9-13(17-18-20)14(21)11-7-15-10-16-8-11/h7-10,12H,2-6H2,1H3.
What are the key properties of [1-(1-ethylpiperidin-4-yl)triazol-4-yl]-pyrimidin-5-ylmethanone?
[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-pyrimidin-5-ylmethanone has a molecular weight of 286.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethylpiperidin-4-yl)triazol-4-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 170985678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).