1-(5-amino-1H-1,2,4-triazol-3-yl)-3-(1,1-dioxothiolan-3-yl)urea

C7H12N6O3S — CID 3721038

IUPAC1-(5-amino-1H-1,2,4-triazol-3-yl)-3-(1,1-dioxothiolan-3-yl)urea
SMILESNc1nc(NC(=O)NC2CCS(=O)(=O)C2)n[nH]1
InChIInChI=1S/C7H12N6O3S/c8-5-10-6(13-12-5)11-7(14)9-4-1-2-17(15,16)3-4/h4H,1-3H2,(H5,8,9,10,11,12,13,14)
InChIKeyADYZDVHSWMAXGL-UHFFFAOYSA-N
MW260.28 g/mol
LogP-1.30
Rot. Bonds2

About 1-(5-amino-1H-1,2,4-triazol-3-yl)-3-(1,1-dioxothiolan-3-yl)urea

1-(5-amino-1H-1,2,4-triazol-3-yl)-3-(1,1-dioxothiolan-3-yl)urea (PubChem CID 3721038) has the molecular formula C7H12N6O3S and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-(5-amino-1H-1,2,4-triazol-3-yl)-3-(1,1-dioxothiolan-3-yl)urea.

Molecular Properties

Compound Name1-(5-amino-1H-1,2,4-triazol-3-yl)-3-(1,1-dioxothiolan-3-yl)urea
PubChem CID3721038
Molecular FormulaC7H12N6O3S
Molecular Weight260.28 g/mol
Exact Mass260.07
IUPAC Name1-(5-amino-1H-1,2,4-triazol-3-yl)-3-(1,1-dioxothiolan-3-yl)urea
SMILESNc1nc(NC(=O)NC2CCS(=O)(=O)C2)n[nH]1
InChIInChI=1S/C7H12N6O3S/c8-5-10-6(13-12-5)11-7(14)9-4-1-2-17(15,16)3-4/h4H,1-3H2,(H5,8,9,10,11,12,13,14)
InChIKeyADYZDVHSWMAXGL-UHFFFAOYSA-N
XLogP-1.30
TPSA142.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-(5-amino-1H-1,2,4-triazol-3-yl)-3-(1,1-dioxothiolan-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-amino-4H-1,2,4-triazol-3-yl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea
CID 3790375
N-(1,1-dioxothiolan-3-yl)-1H-1,2,4-triazol-5-amine
CID 173838828
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-1H-1,2,4-triazol-5-yl]urea
CID 2033929
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-1H-1,2,4-triazol-5-yl]urea
CID 2033930
1-(5-amino-1H-1,2,4-triazol-3-yl)-3-[(3S)-1,1-dioxothiolan-3-yl]thiourea
CID 2404192
1-(1,1-dioxothiolan-3-yl)-3-[3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazol-5-yl]urea
CID 3509748
1-(5-amino-1H-1,2,4-triazol-3-yl)-3-[(3R)-1,1-dioxothiolan-3-yl]thiourea
CID 6598077
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7704521
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7704524
2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
CID 43212629
3-N-(1,1-dioxothiolan-3-yl)-1H-1,2,4-triazole-3,5-diamine
CID 66275572
3-N-(1-methylsulfonylpropan-2-yl)-1H-1,2,4-triazole-3,5-diamine
CID 66275609

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-1,2,4-triazol-3-yl)-3-(1,1-dioxothiolan-3-yl)urea?
The IUPAC name of 1-(5-amino-1H-1,2,4-triazol-3-yl)-3-(1,1-dioxothiolan-3-yl)urea (CID 3721038) is 1-(5-amino-1H-1,2,4-triazol-3-yl)-3-(1,1-dioxothiolan-3-yl)urea.
What is the SMILES notation for 1-(5-amino-1H-1,2,4-triazol-3-yl)-3-(1,1-dioxothiolan-3-yl)urea?
The canonical SMILES for 1-(5-amino-1H-1,2,4-triazol-3-yl)-3-(1,1-dioxothiolan-3-yl)urea is Nc1nc(NC(=O)NC2CCS(=O)(=O)C2)n[nH]1.
What is the InChIKey of 1-(5-amino-1H-1,2,4-triazol-3-yl)-3-(1,1-dioxothiolan-3-yl)urea?
The InChIKey is ADYZDVHSWMAXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O3S/c8-5-10-6(13-12-5)11-7(14)9-4-1-2-17(15,16)3-4/h4H,1-3H2,(H5,8,9,10,11,12,13,14).
What are the key properties of 1-(5-amino-1H-1,2,4-triazol-3-yl)-3-(1,1-dioxothiolan-3-yl)urea?
1-(5-amino-1H-1,2,4-triazol-3-yl)-3-(1,1-dioxothiolan-3-yl)urea has a molecular weight of 260.28 g/mol, XLogP of -1.30, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-1,2,4-triazol-3-yl)-3-(1,1-dioxothiolan-3-yl)urea is sourced from PubChem (CID 3721038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).