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

C13H21N5OS — CID 63314121

IUPAC2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCCn1c(CN)nnc1SCC(=O)N(C)C1=CCCC1
InChIInChI=1S/C13H21N5OS/c1-3-18-11(8-14)15-16-13(18)20-9-12(19)17(2)10-6-4-5-7-10/h6H,3-5,7-9,14H2,1-2H3
InChIKeyPVCMNONOYSODAB-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.38
Rot. Bonds6

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

2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide (PubChem CID 63314121) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide
PubChem CID63314121
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCCn1c(CN)nnc1SCC(=O)N(C)C1=CCCC1
InChIInChI=1S/C13H21N5OS/c1-3-18-11(8-14)15-16-13(18)20-9-12(19)17(2)10-6-4-5-7-10/h6H,3-5,7-9,14H2,1-2H3
InChIKeyPVCMNONOYSODAB-UHFFFAOYSA-N
XLogP1.38
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide
CID 71899005
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 63313443
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide
CID 63313356
2-[[5-(aminomethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-propan-2-ylacetamide
CID 63313687
2-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-methylacetamide
CID 63313324
2-bromo-N-(cyclopenten-1-yl)-N-methylacetamide
CID 81222619
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 55204676
2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylpyridine-4-carboxylic acid
CID 61300878
[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 66364557
[5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 63313730
[4-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 80695220
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-benzylacetamide
CID 63313409

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide?
The IUPAC name of 2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide (CID 63314121) is 2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide?
The canonical SMILES for 2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide is CCn1c(CN)nnc1SCC(=O)N(C)C1=CCCC1.
What is the InChIKey of 2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide?
The InChIKey is PVCMNONOYSODAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-3-18-11(8-14)15-16-13(18)20-9-12(19)17(2)10-6-4-5-7-10/h6H,3-5,7-9,14H2,1-2H3.
What are the key properties of 2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide?
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide has a molecular weight of 295.41 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide is sourced from PubChem (CID 63314121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).