1-(azetidin-3-yl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide

C14H24N6O — CID 79318915

IUPAC1-(azetidin-3-yl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide
SMILESCC(CNC(=O)c1cn(C2CNC2)nn1)CN1CCCC1
InChIInChI=1S/C14H24N6O/c1-11(9-19-4-2-3-5-19)6-16-14(21)13-10-20(18-17-13)12-7-15-8-12/h10-12,15H,2-9H2,1H3,(H,16,21)
InChIKeyUSTSXTNIWPQCNU-UHFFFAOYSA-N
MW292.39 g/mol
LogP-0.12
Rot. Bonds6

About 1-(azetidin-3-yl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide

1-(azetidin-3-yl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide (PubChem CID 79318915) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide
PubChem CID79318915
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name1-(azetidin-3-yl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide
SMILESCC(CNC(=O)c1cn(C2CNC2)nn1)CN1CCCC1
InChIInChI=1S/C14H24N6O/c1-11(9-19-4-2-3-5-19)6-16-14(21)13-10-20(18-17-13)12-7-15-8-12/h10-12,15H,2-9H2,1H3,(H,16,21)
InChIKeyUSTSXTNIWPQCNU-UHFFFAOYSA-N
XLogP-0.12
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide (CID 79318915) is 1-(azetidin-3-yl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide is CC(CNC(=O)c1cn(C2CNC2)nn1)CN1CCCC1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide?
The InChIKey is USTSXTNIWPQCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-11(9-19-4-2-3-5-19)6-16-14(21)13-10-20(18-17-13)12-7-15-8-12/h10-12,15H,2-9H2,1H3,(H,16,21).
What are the key properties of 1-(azetidin-3-yl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide has a molecular weight of 292.39 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide is sourced from PubChem (CID 79318915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).