5-(oxolan-2-yl)-1H-1,2,4-triazole-3-carboxamide

C7H10N4O2 — CID 142769438

IUPAC5-(oxolan-2-yl)-1H-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1n[nH]c(C2CCCO2)n1
InChIInChI=1S/C7H10N4O2/c8-5(12)7-9-6(10-11-7)4-2-1-3-13-4/h4H,1-3H2,(H2,8,12)(H,9,10,11)
InChIKeyVRUGBFDKGBEGMI-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.24
Rot. Bonds2

About 5-(oxolan-2-yl)-1H-1,2,4-triazole-3-carboxamide

5-(oxolan-2-yl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 142769438) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-(oxolan-2-yl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID142769438
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name5-(oxolan-2-yl)-1H-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1n[nH]c(C2CCCO2)n1
InChIInChI=1S/C7H10N4O2/c8-5(12)7-9-6(10-11-7)4-2-1-3-13-4/h4H,1-3H2,(H2,8,12)(H,9,10,11)
InChIKeyVRUGBFDKGBEGMI-UHFFFAOYSA-N
XLogP-0.24
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-(oxolan-2-yl)-1H-1,2,4-triazole-3-carboxamide (CID 142769438) is 5-(oxolan-2-yl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-(oxolan-2-yl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-(oxolan-2-yl)-1H-1,2,4-triazole-3-carboxamide is NC(=O)c1n[nH]c(C2CCCO2)n1.
What is the InChIKey of 5-(oxolan-2-yl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is VRUGBFDKGBEGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c8-5(12)7-9-6(10-11-7)4-2-1-3-13-4/h4H,1-3H2,(H2,8,12)(H,9,10,11).
What are the key properties of 5-(oxolan-2-yl)-1H-1,2,4-triazole-3-carboxamide?
5-(oxolan-2-yl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 182.18 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 142769438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).