2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide

C10H16N6O2S — CID 9416949

IUPAC2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CSc1n[nH]c(N)n1
InChIInChI=1S/C10H16N6O2S/c1-16(4-7(17)12-6-2-3-6)8(18)5-19-10-13-9(11)14-15-10/h6H,2-5H2,1H3,(H,12,17)(H3,11,13,14,15)
InChIKeyMBMQEPWMPUEBPN-UHFFFAOYSA-N
MW284.35 g/mol
LogP-0.78
Rot. Bonds6

About 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide

2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide (PubChem CID 9416949) has the molecular formula C10H16N6O2S and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide
PubChem CID9416949
Molecular FormulaC10H16N6O2S
Molecular Weight284.35 g/mol
Exact Mass284.11
IUPAC Name2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CSc1n[nH]c(N)n1
InChIInChI=1S/C10H16N6O2S/c1-16(4-7(17)12-6-2-3-6)8(18)5-19-10-13-9(11)14-15-10/h6H,2-5H2,1H3,(H,12,17)(H3,11,13,14,15)
InChIKeyMBMQEPWMPUEBPN-UHFFFAOYSA-N
XLogP-0.78
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide with MolForge

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Related Compounds

N-cyclopropyl-2-[methyl-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
CID 40669412
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 34227623
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylpropanamide
CID 43213339
2-[[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide
CID 102630077
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2693147
N-cyclopropyl-2-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
CID 8601346
N-acetyl-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 130735027
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide;formic acid
CID 154909706
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate
CID 77061118
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 43213047
N-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 104590665
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide
CID 43243226

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide (CID 9416949) is 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)C(=O)CSc1n[nH]c(N)n1.
What is the InChIKey of 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide?
The InChIKey is MBMQEPWMPUEBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S/c1-16(4-7(17)12-6-2-3-6)8(18)5-19-10-13-9(11)14-15-10/h6H,2-5H2,1H3,(H,12,17)(H3,11,13,14,15).
What are the key properties of 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide?
2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide has a molecular weight of 284.35 g/mol, XLogP of -0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 9416949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).