sodium;hydride;1H-1,2,4-triazole-5-carboxamide

C3H5N4NaO — CID 173252182

IUPACsodium;hydride;1H-1,2,4-triazole-5-carboxamide
SMILESNC(=O)c1ncn[nH]1.[H-].[Na+]
InChIInChI=1S/C3H4N4O.Na.H/c4-2(8)3-5-1-6-7-3;;/h1H,(H2,4,8)(H,5,6,7);;/q;+1;-1
InChIKeyXZIJSFKXTUIWJP-UHFFFAOYSA-N
MW136.09 g/mol
LogP-3.98
Rot. Bonds1

About sodium;hydride;1H-1,2,4-triazole-5-carboxamide

sodium;hydride;1H-1,2,4-triazole-5-carboxamide (PubChem CID 173252182) has the molecular formula C3H5N4NaO and a molecular weight of 136.09 g/mol. Its IUPAC name is sodium;hydride;1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Namesodium;hydride;1H-1,2,4-triazole-5-carboxamide
PubChem CID173252182
Molecular FormulaC3H5N4NaO
Molecular Weight136.09 g/mol
Exact Mass136.04
IUPAC Namesodium;hydride;1H-1,2,4-triazole-5-carboxamide
SMILESNC(=O)c1ncn[nH]1.[H-].[Na+]
InChIInChI=1S/C3H4N4O.Na.H/c4-2(8)3-5-1-6-7-3;;/h1H,(H2,4,8)(H,5,6,7);;/q;+1;-1
InChIKeyXZIJSFKXTUIWJP-UHFFFAOYSA-N
XLogP-3.98
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.09
LogP ≤ 5-3.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
N'-methyl-1H-1,2,4-triazole-5-carboximidamide
CID 135965193
N,N-diethyl-1H-1,2,4-triazole-5-carboxamide
CID 3345983
1H-imidazol-2-yl(1H-1,2,4-triazol-5-yl)methanone
CID 57179658
N'-cyclopropyl-1H-1,2,4-triazole-5-carboximidamide
CID 135965177
3-methyl-1-(1H-1,2,4-triazol-5-yl)but-3-en-1-one
CID 79177579
N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 65193517
N-prop-2-enoxy-1H-1,2,4-triazole-5-carboxamide
CID 155075039
3-methyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-one
CID 65363335
N-(2,2-difluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 115283347
N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 67183318
3-methylidene-1-(1H-1,2,4-triazol-5-yl)pentan-1-one
CID 66043842

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of sodium;hydride;1H-1,2,4-triazole-5-carboxamide (CID 173252182) is sodium;hydride;1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for sodium;hydride;1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for sodium;hydride;1H-1,2,4-triazole-5-carboxamide is NC(=O)c1ncn[nH]1.[H-].[Na+].
What is the InChIKey of sodium;hydride;1H-1,2,4-triazole-5-carboxamide?
The InChIKey is XZIJSFKXTUIWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4O.Na.H/c4-2(8)3-5-1-6-7-3;;/h1H,(H2,4,8)(H,5,6,7);;/q;+1;-1.
What are the key properties of sodium;hydride;1H-1,2,4-triazole-5-carboxamide?
sodium;hydride;1H-1,2,4-triazole-5-carboxamide has a molecular weight of 136.09 g/mol, XLogP of -3.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 173252182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).