methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate

C9H14N4O2 — CID 163353124

IUPACmethyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate
SMILESCOC(=O)c1ncn(C2CCCNC2)n1
InChIInChI=1S/C9H14N4O2/c1-15-9(14)8-11-6-13(12-8)7-3-2-4-10-5-7/h6-7,10H,2-5H2,1H3
InChIKeyHLLZHZMEOKFHJK-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.01
Rot. Bonds2

About methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate

methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate (PubChem CID 163353124) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate
PubChem CID163353124
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Namemethyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate
SMILESCOC(=O)c1ncn(C2CCCNC2)n1
InChIInChI=1S/C9H14N4O2/c1-15-9(14)8-11-6-13(12-8)7-3-2-4-10-5-7/h6-7,10H,2-5H2,1H3
InChIKeyHLLZHZMEOKFHJK-UHFFFAOYSA-N
XLogP-0.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2S)-2-phenylcyclopropyl]-1-[(3S)-piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488916
1-[(3S)-piperidin-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide
CID 129466028
1-[(3R)-piperidin-3-yl]-N-[(2R)-2-thiophen-3-ylpropyl]-1,2,4-triazole-3-carboxamide
CID 129488911
N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-piperidin-3-yl-1,2,4-triazole-3-carboxamide
CID 167826934
(6-methyl-2,3-dihydroindol-1-yl)-[1-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]methanone
CID 129488937
1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide
CID 129489835
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-1-[(3S)-piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129489919
1-(1-piperidin-3-yltriazol-4-yl)ethanone
CID 164663675
methyl 1-[(3S)-pyrrolidin-3-yl]triazole-4-carboxylate
CID 97297705
3-methyl-1-[(3S)-piperidin-3-yl]pyrazole-4-carboxylic acid
CID 124510052
methyl 1-fluoro-1,2,4-triazole-3-carboxylate
CID 143899589
methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate
CID 83841971

Frequently Asked Questions

What is the IUPAC name of methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate?
The IUPAC name of methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate (CID 163353124) is methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate.
What is the SMILES notation for methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate?
The canonical SMILES for methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate is COC(=O)c1ncn(C2CCCNC2)n1.
What is the InChIKey of methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate?
The InChIKey is HLLZHZMEOKFHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-15-9(14)8-11-6-13(12-8)7-3-2-4-10-5-7/h6-7,10H,2-5H2,1H3.
What are the key properties of methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate?
methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate has a molecular weight of 210.24 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 163353124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).