N-(oxan-4-yl)-3-(triazol-1-ylmethyl)azetidine-1-carboxamide

C12H19N5O2 — CID 126857952

IUPACN-(oxan-4-yl)-3-(triazol-1-ylmethyl)azetidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CC(Cn2ccnn2)C1
InChIInChI=1S/C12H19N5O2/c18-12(14-11-1-5-19-6-2-11)16-7-10(8-16)9-17-4-3-13-15-17/h3-4,10-11H,1-2,5-9H2,(H,14,18)
InChIKeyULPSDTGAFKKSRP-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.10
Rot. Bonds3

About N-(oxan-4-yl)-3-(triazol-1-ylmethyl)azetidine-1-carboxamide

N-(oxan-4-yl)-3-(triazol-1-ylmethyl)azetidine-1-carboxamide (PubChem CID 126857952) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(oxan-4-yl)-3-(triazol-1-ylmethyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-3-(triazol-1-ylmethyl)azetidine-1-carboxamide
PubChem CID126857952
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-(oxan-4-yl)-3-(triazol-1-ylmethyl)azetidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CC(Cn2ccnn2)C1
InChIInChI=1S/C12H19N5O2/c18-12(14-11-1-5-19-6-2-11)16-7-10(8-16)9-17-4-3-13-15-17/h3-4,10-11H,1-2,5-9H2,(H,14,18)
InChIKeyULPSDTGAFKKSRP-UHFFFAOYSA-N
XLogP0.10
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-3-(triazol-1-ylmethyl)azetidine-1-carboxamide?
The IUPAC name of N-(oxan-4-yl)-3-(triazol-1-ylmethyl)azetidine-1-carboxamide (CID 126857952) is N-(oxan-4-yl)-3-(triazol-1-ylmethyl)azetidine-1-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-3-(triazol-1-ylmethyl)azetidine-1-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-3-(triazol-1-ylmethyl)azetidine-1-carboxamide is O=C(NC1CCOCC1)N1CC(Cn2ccnn2)C1.
What is the InChIKey of N-(oxan-4-yl)-3-(triazol-1-ylmethyl)azetidine-1-carboxamide?
The InChIKey is ULPSDTGAFKKSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c18-12(14-11-1-5-19-6-2-11)16-7-10(8-16)9-17-4-3-13-15-17/h3-4,10-11H,1-2,5-9H2,(H,14,18).
What are the key properties of N-(oxan-4-yl)-3-(triazol-1-ylmethyl)azetidine-1-carboxamide?
N-(oxan-4-yl)-3-(triazol-1-ylmethyl)azetidine-1-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-3-(triazol-1-ylmethyl)azetidine-1-carboxamide is sourced from PubChem (CID 126857952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).