3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide

C10H18N6O2S — CID 55205058

IUPAC3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
SMILESCCn1c(CN)nnc1SCCC(=O)NC(=O)NC
InChIInChI=1S/C10H18N6O2S/c1-3-16-7(6-11)14-15-10(16)19-5-4-8(17)13-9(18)12-2/h3-6,11H2,1-2H3,(H2,12,13,17,18)
InChIKeyUCXNXMUBYDJAMM-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.31
Rot. Bonds6

About 3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide

3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide (PubChem CID 55205058) has the molecular formula C10H18N6O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
PubChem CID55205058
Molecular FormulaC10H18N6O2S
Molecular Weight286.36 g/mol
Exact Mass286.12
IUPAC Name3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
SMILESCCn1c(CN)nnc1SCCC(=O)NC(=O)NC
InChIInChI=1S/C10H18N6O2S/c1-3-16-7(6-11)14-15-10(16)19-5-4-8(17)13-9(18)12-2/h3-6,11H2,1-2H3,(H2,12,13,17,18)
InChIKeyUCXNXMUBYDJAMM-UHFFFAOYSA-N
XLogP-0.31
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[5-(aminomethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 63313172
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 63313357
[4-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 80695220
3-[[5-(aminomethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylpropanamide
CID 55205252
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide
CID 63313356
[5-(2-tert-butylsulfanylethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 114271321
2-[[5-(aminomethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 63314004
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 55204676
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 63313994
[4-ethyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 106725606
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-benzylacetamide
CID 63313409
[4-ethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63313191

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide (CID 55205058) is 3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide is CCn1c(CN)nnc1SCCC(=O)NC(=O)NC.
What is the InChIKey of 3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide?
The InChIKey is UCXNXMUBYDJAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2S/c1-3-16-7(6-11)14-15-10(16)19-5-4-8(17)13-9(18)12-2/h3-6,11H2,1-2H3,(H2,12,13,17,18).
What are the key properties of 3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide?
3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide has a molecular weight of 286.36 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 55205058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).