1-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)triazole-4-carboxamide

C13H22N6O — CID 79315997

IUPAC1-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)triazole-4-carboxamide
SMILESCN1CCCC(N(C)C(=O)c2cn(C3CNC3)nn2)C1
InChIInChI=1S/C13H22N6O/c1-17-5-3-4-10(8-17)18(2)13(20)12-9-19(16-15-12)11-6-14-7-11/h9-11,14H,3-8H2,1-2H3
InChIKeyRTKRODKISMHTIR-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.41
Rot. Bonds3

About 1-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)triazole-4-carboxamide

1-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)triazole-4-carboxamide (PubChem CID 79315997) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)triazole-4-carboxamide
PubChem CID79315997
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name1-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)triazole-4-carboxamide
SMILESCN1CCCC(N(C)C(=O)c2cn(C3CNC3)nn2)C1
InChIInChI=1S/C13H22N6O/c1-17-5-3-4-10(8-17)18(2)13(20)12-9-19(16-15-12)11-6-14-7-11/h9-11,14H,3-8H2,1-2H3
InChIKeyRTKRODKISMHTIR-UHFFFAOYSA-N
XLogP-0.41
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azetidin-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-carboxamide
CID 79327138
N-cyclohexyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63282846
N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696941
N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119763852
6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 62546139
1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide
CID 79316126
2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-propylamino]acetic acid
CID 79316931
1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide
CID 114230177
(3S)-1-[1-(azetidin-3-yl)triazole-4-carbonyl]piperidine-3-carboxylic acid
CID 81126368
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[1-(azetidin-3-yl)triazol-4-yl]methanone
CID 79318684
2-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)acetamide
CID 64610616
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)triazole-4-carboxamide (CID 79315997) is 1-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)triazole-4-carboxamide is CN1CCCC(N(C)C(=O)c2cn(C3CNC3)nn2)C1.
What is the InChIKey of 1-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)triazole-4-carboxamide?
The InChIKey is RTKRODKISMHTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-17-5-3-4-10(8-17)18(2)13(20)12-9-19(16-15-12)11-6-14-7-11/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)triazole-4-carboxamide has a molecular weight of 278.36 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)triazole-4-carboxamide is sourced from PubChem (CID 79315997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).