N-(1-oxothiolan-1-ylidene)-1H-1,2,4-triazole-5-carboxamide

C7H10N4O2S — CID 130582206

IUPACN-(1-oxothiolan-1-ylidene)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(N=S1(=O)CCCC1)c1ncn[nH]1
InChIInChI=1S/C7H10N4O2S/c12-7(6-8-5-9-10-6)11-14(13)3-1-2-4-14/h5H,1-4H2,(H,8,9,10)
InChIKeySIHUPOIHMBKARL-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.21
Rot. Bonds1

About N-(1-oxothiolan-1-ylidene)-1H-1,2,4-triazole-5-carboxamide

N-(1-oxothiolan-1-ylidene)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 130582206) has the molecular formula C7H10N4O2S and a molecular weight of 214.25 g/mol. Its IUPAC name is N-(1-oxothiolan-1-ylidene)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-oxothiolan-1-ylidene)-1H-1,2,4-triazole-5-carboxamide
PubChem CID130582206
Molecular FormulaC7H10N4O2S
Molecular Weight214.25 g/mol
Exact Mass214.05
IUPAC NameN-(1-oxothiolan-1-ylidene)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(N=S1(=O)CCCC1)c1ncn[nH]1
InChIInChI=1S/C7H10N4O2S/c12-7(6-8-5-9-10-6)11-14(13)3-1-2-4-14/h5H,1-4H2,(H,8,9,10)
InChIKeySIHUPOIHMBKARL-UHFFFAOYSA-N
XLogP0.21
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;hydride;1H-1,2,4-triazole-5-carboxamide
CID 173252182
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
1-(1H-1,2,4-triazole-5-carbonylamino)cycloheptane-1-carboxylic acid
CID 63653820
N'-(1H-1,2,4-triazole-5-carbonyl)pyridine-4-carbohydrazide
CID 764523
4-bromo-N-(1-oxothiolan-1-ylidene)thiophene-3-carboxamide
CID 164645675
N-piperidin-1-yl-1H-1,2,4-triazole-5-carboxamide
CID 83022777
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 115363144
N'-methyl-1H-1,2,4-triazole-5-carboximidamide
CID 135965193
6-oxaspiro[4.5]decan-9-yl(1H-1,2,4-triazol-5-yl)methanone
CID 79921982
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-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749130

Frequently Asked Questions

What is the IUPAC name of N-(1-oxothiolan-1-ylidene)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(1-oxothiolan-1-ylidene)-1H-1,2,4-triazole-5-carboxamide (CID 130582206) is N-(1-oxothiolan-1-ylidene)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(1-oxothiolan-1-ylidene)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(1-oxothiolan-1-ylidene)-1H-1,2,4-triazole-5-carboxamide is O=C(N=S1(=O)CCCC1)c1ncn[nH]1.
What is the InChIKey of N-(1-oxothiolan-1-ylidene)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is SIHUPOIHMBKARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S/c12-7(6-8-5-9-10-6)11-14(13)3-1-2-4-14/h5H,1-4H2,(H,8,9,10).
What are the key properties of N-(1-oxothiolan-1-ylidene)-1H-1,2,4-triazole-5-carboxamide?
N-(1-oxothiolan-1-ylidene)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 214.25 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxothiolan-1-ylidene)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 130582206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).