1-(azetidin-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-carboxamide

C13H22N6O — CID 79327138

IUPAC1-(azetidin-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-carboxamide
SMILESCN(CC1CCCN1C)C(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C13H22N6O/c1-17-5-3-4-10(17)8-18(2)13(20)12-9-19(16-15-12)11-6-14-7-11/h9-11,14H,3-8H2,1-2H3
InChIKeyNTWXUXOJSZLCKR-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.41
Rot. Bonds4

About 1-(azetidin-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-carboxamide

1-(azetidin-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-carboxamide (PubChem CID 79327138) 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-methylpyrrolidin-2-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-carboxamide
PubChem CID79327138
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name1-(azetidin-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-carboxamide
SMILESCN(CC1CCCN1C)C(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C13H22N6O/c1-17-5-3-4-10(17)8-18(2)13(20)12-9-19(16-15-12)11-6-14-7-11/h9-11,14H,3-8H2,1-2H3
InChIKeyNTWXUXOJSZLCKR-UHFFFAOYSA-N
XLogP-0.41
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-carboxamide (CID 79327138) is 1-(azetidin-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-carboxamide is CN(CC1CCCN1C)C(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-carboxamide?
The InChIKey is NTWXUXOJSZLCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-17-5-3-4-10(17)8-18(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-methylpyrrolidin-2-yl)methyl]triazole-4-carboxamide?
1-(azetidin-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 278.36 g/mol, XLogP of -0.41, 4 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-methylpyrrolidin-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 79327138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).