2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylacetamide

C8H12N6O2S — CID 4319624

IUPAC2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CSc1nnc(C2CC2)n1N
InChIInChI=1S/C8H12N6O2S/c9-7(16)11-5(15)3-17-8-13-12-6(14(8)10)4-1-2-4/h4H,1-3,10H2,(H3,9,11,15,16)
InChIKeyZIYPRZYRCGEDKR-UHFFFAOYSA-N
MW256.29 g/mol
LogP-0.84
Rot. Bonds4

About 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylacetamide

2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylacetamide (PubChem CID 4319624) has the molecular formula C8H12N6O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylacetamide
PubChem CID4319624
Molecular FormulaC8H12N6O2S
Molecular Weight256.29 g/mol
Exact Mass256.07
IUPAC Name2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CSc1nnc(C2CC2)n1N
InChIInChI=1S/C8H12N6O2S/c9-7(16)11-5(15)3-17-8-13-12-6(14(8)10)4-1-2-4/h4H,1-3,10H2,(H3,9,11,15,16)
InChIKeyZIYPRZYRCGEDKR-UHFFFAOYSA-N
XLogP-0.84
TPSA128.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(tert-butylcarbamoyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2090862
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide
CID 2603786
2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide
CID 4680050
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2601730
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 42038507
2-[(4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1931988
2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylacetamide
CID 2447602
2-[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2453906
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutylcarbamoyl)acetamide
CID 8338513
N-carbamoyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9379024
N-carbamoyl-3-methyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 42903805
(2S)-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide
CID 2099969

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylacetamide?
The IUPAC name of 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylacetamide (CID 4319624) is 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylacetamide.
What is the SMILES notation for 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylacetamide?
The canonical SMILES for 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylacetamide is NC(=O)NC(=O)CSc1nnc(C2CC2)n1N.
What is the InChIKey of 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylacetamide?
The InChIKey is ZIYPRZYRCGEDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2S/c9-7(16)11-5(15)3-17-8-13-12-6(14(8)10)4-1-2-4/h4H,1-3,10H2,(H3,9,11,15,16).
What are the key properties of 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylacetamide?
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylacetamide has a molecular weight of 256.29 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylacetamide is sourced from PubChem (CID 4319624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).