N-(cyclopropylmethyl)-1-(1-propanoylazetidin-3-yl)triazole-4-carboxamide

C13H19N5O2 — CID 91923606

IUPACN-(cyclopropylmethyl)-1-(1-propanoylazetidin-3-yl)triazole-4-carboxamide
SMILESCCC(=O)N1CC(n2cc(C(=O)NCC3CC3)nn2)C1
InChIInChI=1S/C13H19N5O2/c1-2-12(19)17-6-10(7-17)18-8-11(15-16-18)13(20)14-5-9-3-4-9/h8-10H,2-7H2,1H3,(H,14,20)
InChIKeyXCWITPPKDIVVOX-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.21
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(1-propanoylazetidin-3-yl)triazole-4-carboxamide

N-(cyclopropylmethyl)-1-(1-propanoylazetidin-3-yl)triazole-4-carboxamide (PubChem CID 91923606) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(1-propanoylazetidin-3-yl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(1-propanoylazetidin-3-yl)triazole-4-carboxamide
PubChem CID91923606
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-(cyclopropylmethyl)-1-(1-propanoylazetidin-3-yl)triazole-4-carboxamide
SMILESCCC(=O)N1CC(n2cc(C(=O)NCC3CC3)nn2)C1
InChIInChI=1S/C13H19N5O2/c1-2-12(19)17-6-10(7-17)18-8-11(15-16-18)13(20)14-5-9-3-4-9/h8-10H,2-7H2,1H3,(H,14,20)
InChIKeyXCWITPPKDIVVOX-UHFFFAOYSA-N
XLogP0.21
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(1-propanoylazetidin-3-yl)triazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(1-propanoylazetidin-3-yl)triazole-4-carboxamide (CID 91923606) is N-(cyclopropylmethyl)-1-(1-propanoylazetidin-3-yl)triazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(1-propanoylazetidin-3-yl)triazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(1-propanoylazetidin-3-yl)triazole-4-carboxamide is CCC(=O)N1CC(n2cc(C(=O)NCC3CC3)nn2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(1-propanoylazetidin-3-yl)triazole-4-carboxamide?
The InChIKey is XCWITPPKDIVVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-2-12(19)17-6-10(7-17)18-8-11(15-16-18)13(20)14-5-9-3-4-9/h8-10H,2-7H2,1H3,(H,14,20).
What are the key properties of N-(cyclopropylmethyl)-1-(1-propanoylazetidin-3-yl)triazole-4-carboxamide?
N-(cyclopropylmethyl)-1-(1-propanoylazetidin-3-yl)triazole-4-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(1-propanoylazetidin-3-yl)triazole-4-carboxamide is sourced from PubChem (CID 91923606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).