N,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide

C5H8N4O2 — CID 142157801

IUPACN,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c(=O)[nH]1
InChIInChI=1S/C5H8N4O2/c1-6-4(10)3-7-5(11)9(2)8-3/h1-2H3,(H,6,10)(H,7,8,11)
InChIKeyDTWXAENBCBHSPR-UHFFFAOYSA-N
MW156.14 g/mol
LogP-1.53
Rot. Bonds1

About N,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide

N,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide (PubChem CID 142157801) has the molecular formula C5H8N4O2 and a molecular weight of 156.14 g/mol. Its IUPAC name is N,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
PubChem CID142157801
Molecular FormulaC5H8N4O2
Molecular Weight156.14 g/mol
Exact Mass156.06
IUPAC NameN,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c(=O)[nH]1
InChIInChI=1S/C5H8N4O2/c1-6-4(10)3-7-5(11)9(2)8-3/h1-2H3,(H,6,10)(H,7,8,11)
InChIKeyDTWXAENBCBHSPR-UHFFFAOYSA-N
XLogP-1.53
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide (CID 142157801) is N,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide is CNC(=O)c1nn(C)c(=O)[nH]1.
What is the InChIKey of N,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The InChIKey is DTWXAENBCBHSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-6-4(10)3-7-5(11)9(2)8-3/h1-2H3,(H,6,10)(H,7,8,11).
What are the key properties of N,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
N,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide has a molecular weight of 156.14 g/mol, XLogP of -1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 142157801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).