4-cyclopropyl-2-methyl-5-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-one

C16H26N4O2 — CID 90542899

IUPAC4-cyclopropyl-2-methyl-5-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCn1nc(C2CCN(CC3CCCO3)CC2)n(C2CC2)c1=O
InChIInChI=1S/C16H26N4O2/c1-18-16(21)20(13-4-5-13)15(17-18)12-6-8-19(9-7-12)11-14-3-2-10-22-14/h12-14H,2-11H2,1H3
InChIKeyMQAJHPLHHGRUED-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.28
Rot. Bonds4

About 4-cyclopropyl-2-methyl-5-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-one

4-cyclopropyl-2-methyl-5-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 90542899) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-cyclopropyl-2-methyl-5-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopropyl-2-methyl-5-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-one
PubChem CID90542899
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name4-cyclopropyl-2-methyl-5-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCn1nc(C2CCN(CC3CCCO3)CC2)n(C2CC2)c1=O
InChIInChI=1S/C16H26N4O2/c1-18-16(21)20(13-4-5-13)15(17-18)12-6-8-19(9-7-12)11-14-3-2-10-22-14/h12-14H,2-11H2,1H3
InChIKeyMQAJHPLHHGRUED-UHFFFAOYSA-N
XLogP1.28
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropyl-2-methyl-5-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-one with MolForge

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Related Compounds

2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methylacetamide
CID 73167716
ethyl 4-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxobutanoate
CID 90542992
4-cyclopentyl-5-[1-[2-(4-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 121118087
4-cyclopentyl-2-methyl-5-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 121117990
3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944997
4-(azetidin-3-yl)-2-methyl-5-(oxolan-2-yl)-1,2,4-triazol-3-one
CID 121208079
2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 121118008
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde
CID 62655555
2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanol
CID 94190741
4-cyclopentyl-2-methyl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 121117975
ethane;1-methyl-4-(oxolan-2-ylmethyl)piperazine;4-methylpiperazin-2-one
CID 171516221

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methyl-5-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopropyl-2-methyl-5-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-one (CID 90542899) is 4-cyclopropyl-2-methyl-5-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopropyl-2-methyl-5-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopropyl-2-methyl-5-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-one is Cn1nc(C2CCN(CC3CCCO3)CC2)n(C2CC2)c1=O.
What is the InChIKey of 4-cyclopropyl-2-methyl-5-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The InChIKey is MQAJHPLHHGRUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-18-16(21)20(13-4-5-13)15(17-18)12-6-8-19(9-7-12)11-14-3-2-10-22-14/h12-14H,2-11H2,1H3.
What are the key properties of 4-cyclopropyl-2-methyl-5-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-one?
4-cyclopropyl-2-methyl-5-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-one has a molecular weight of 306.41 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methyl-5-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 90542899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).