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

C7H10N4O2 — CID 154733057

IUPAC5-(oxolan-3-yl)-1H-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1n[nH]c(C2CCOC2)n1
InChIInChI=1S/C7H10N4O2/c8-5(12)7-9-6(10-11-7)4-1-2-13-3-4/h4H,1-3H2,(H2,8,12)(H,9,10,11)
InChIKeyQXAZGVCVYIBBCY-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.59
Rot. Bonds2

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

5-(oxolan-3-yl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 154733057) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-(oxolan-3-yl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-(oxolan-3-yl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID154733057
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name5-(oxolan-3-yl)-1H-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1n[nH]c(C2CCOC2)n1
InChIInChI=1S/C7H10N4O2/c8-5(12)7-9-6(10-11-7)4-1-2-13-3-4/h4H,1-3H2,(H2,8,12)(H,9,10,11)
InChIKeyQXAZGVCVYIBBCY-UHFFFAOYSA-N
XLogP-0.59
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 ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(oxolan-3-yl)-4H-1,2,4-triazol-3-yl]methanamine
CID 65329448
5-(Tetrahydrofuran-3-yl)-1,2,4-triazole-3-carboxylic acid ethyl ester
CID 63381423
5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide
CID 80368521
5-(Tetrahydropyran-4-yl)-1,2,4-triazole-3-carboxamide
CID 154733062
5-(Tetrahydropyran-3-yl)-1,2,4-triazole-3-carboxamide
CID 154733065
5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine
CID 61278114
5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 80368363
5-(oxan-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 134354102
5-methyl-3-(oxolan-3-yl)-1H-1,2,4-triazole
CID 61278087
5-ethyl-3-(oxolan-3-yl)-1H-1,2,4-triazole
CID 61279352
3-(oxolan-3-yl)-5-propyl-1H-1,2,4-triazole
CID 61337906
5-(oxolan-3-yl)-3-propan-2-yl-1H-1,2,4-triazole
CID 61348808

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-yl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-(oxolan-3-yl)-1H-1,2,4-triazole-3-carboxamide (CID 154733057) is 5-(oxolan-3-yl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-(oxolan-3-yl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-(oxolan-3-yl)-1H-1,2,4-triazole-3-carboxamide is NC(=O)c1n[nH]c(C2CCOC2)n1.
What is the InChIKey of 5-(oxolan-3-yl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is QXAZGVCVYIBBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c8-5(12)7-9-6(10-11-7)4-1-2-13-3-4/h4H,1-3H2,(H2,8,12)(H,9,10,11).
What are the key properties of 5-(oxolan-3-yl)-1H-1,2,4-triazole-3-carboxamide?
5-(oxolan-3-yl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 182.18 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-yl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 154733057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).