4-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]oxolane-3-carboxamide

C13H15N5O2 — CID 66240824

IUPAC4-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)Nc1ccccc1-n1cncn1
InChIInChI=1S/C13H15N5O2/c14-10-6-20-5-9(10)13(19)17-11-3-1-2-4-12(11)18-8-15-7-16-18/h1-4,7-10H,5-6,14H2,(H,17,19)
InChIKeyFONFXXCDUVFWPV-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.18
Rot. Bonds3

About 4-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]oxolane-3-carboxamide

4-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]oxolane-3-carboxamide (PubChem CID 66240824) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]oxolane-3-carboxamide
PubChem CID66240824
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name4-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)Nc1ccccc1-n1cncn1
InChIInChI=1S/C13H15N5O2/c14-10-6-20-5-9(10)13(19)17-11-3-1-2-4-12(11)18-8-15-7-16-18/h1-4,7-10H,5-6,14H2,(H,17,19)
InChIKeyFONFXXCDUVFWPV-UHFFFAOYSA-N
XLogP0.18
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]oxolane-3-carboxamide (CID 66240824) is 4-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]oxolane-3-carboxamide is NC1COCC1C(=O)Nc1ccccc1-n1cncn1.
What is the InChIKey of 4-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]oxolane-3-carboxamide?
The InChIKey is FONFXXCDUVFWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c14-10-6-20-5-9(10)13(19)17-11-3-1-2-4-12(11)18-8-15-7-16-18/h1-4,7-10H,5-6,14H2,(H,17,19).
What are the key properties of 4-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]oxolane-3-carboxamide?
4-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]oxolane-3-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 66240824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).