N-[3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazol-5-yl]propanamide

C10H16N6O4S — CID 102565906

IUPACN-[3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazol-5-yl]propanamide
SMILESCCC(=O)Nc1nc(NC(=O)NC2CCS(=O)(=O)C2)n[nH]1
InChIInChI=1S/C10H16N6O4S/c1-2-7(17)12-8-13-9(16-15-8)14-10(18)11-6-3-4-21(19,20)5-6/h6H,2-5H2,1H3,(H4,11,12,13,14,15,16,17,18)
InChIKeyANIDXAJSEBDMBV-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.54
Rot. Bonds4

About N-[3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazol-5-yl]propanamide

N-[3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazol-5-yl]propanamide (PubChem CID 102565906) has the molecular formula C10H16N6O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is N-[3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazol-5-yl]propanamide
PubChem CID102565906
Molecular FormulaC10H16N6O4S
Molecular Weight316.34 g/mol
Exact Mass316.10
IUPAC NameN-[3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazol-5-yl]propanamide
SMILESCCC(=O)Nc1nc(NC(=O)NC2CCS(=O)(=O)C2)n[nH]1
InChIInChI=1S/C10H16N6O4S/c1-2-7(17)12-8-13-9(16-15-8)14-10(18)11-6-3-4-21(19,20)5-6/h6H,2-5H2,1H3,(H4,11,12,13,14,15,16,17,18)
InChIKeyANIDXAJSEBDMBV-UHFFFAOYSA-N
XLogP-0.54
TPSA145.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazol-5-yl]propanamide with MolForge

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Related Compounds

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-(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-(1,1-dioxothiolan-3-yl)urea
CID 3721038
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
ethyl N-[5-[(1,1-dioxothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazol-3-yl]carbamate
CID 102566033
N-[5-[(1,1-dioxothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazol-3-yl]formamide
CID 102566567
N-(1,1-dioxothiolan-3-yl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108526830
N'-(1,1-dioxothiolan-3-yl)-N'-ethyl-N-(1H-1,2,4-triazol-5-yl)oxamide
CID 108526942
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-N-(1H-1,2,4-triazol-5-yl)oxamide
CID 108527055

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazol-5-yl]propanamide?
The IUPAC name of N-[3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazol-5-yl]propanamide (CID 102565906) is N-[3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazol-5-yl]propanamide.
What is the SMILES notation for N-[3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazol-5-yl]propanamide?
The canonical SMILES for N-[3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazol-5-yl]propanamide is CCC(=O)Nc1nc(NC(=O)NC2CCS(=O)(=O)C2)n[nH]1.
What is the InChIKey of N-[3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazol-5-yl]propanamide?
The InChIKey is ANIDXAJSEBDMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O4S/c1-2-7(17)12-8-13-9(16-15-8)14-10(18)11-6-3-4-21(19,20)5-6/h6H,2-5H2,1H3,(H4,11,12,13,14,15,16,17,18).
What are the key properties of N-[3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazol-5-yl]propanamide?
N-[3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazol-5-yl]propanamide has a molecular weight of 316.34 g/mol, XLogP of -0.54, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazol-5-yl]propanamide is sourced from PubChem (CID 102565906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).