1-(methylamino)-2-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide

C12H21N5O2S — CID 79582213

IUPAC1-(methylamino)-2-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCSc1n[nH]c(=O)n1C
InChIInChI=1S/C12H21N5O2S/c1-14-12(9(13)18)6-3-4-8(12)5-7-20-11-16-15-10(19)17(11)2/h8,14H,3-7H2,1-2H3,(H2,13,18)(H,15,19)
InChIKeyXDZVOBQNKUKIDZ-UHFFFAOYSA-N
MW299.40 g/mol
LogP-0.17
Rot. Bonds6

About 1-(methylamino)-2-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide

1-(methylamino)-2-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide (PubChem CID 79582213) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-(methylamino)-2-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-2-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide
PubChem CID79582213
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name1-(methylamino)-2-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCSc1n[nH]c(=O)n1C
InChIInChI=1S/C12H21N5O2S/c1-14-12(9(13)18)6-3-4-8(12)5-7-20-11-16-15-10(19)17(11)2/h8,14H,3-7H2,1-2H3,(H2,13,18)(H,15,19)
InChIKeyXDZVOBQNKUKIDZ-UHFFFAOYSA-N
XLogP-0.17
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(methylamino)-2-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide with MolForge

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Related Compounds

2-[2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79556132
1-amino-2-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carbonitrile
CID 79577257
1-(methylamino)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide
CID 79587868
2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 106925424
2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79586712
2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79577274
2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79586391
ethyl 1-(methylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 104603859
2-[2-(benzimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79572724
2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79564242
methyl 1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 79586715
2-[2-(N,2-dimethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79573813

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(methylamino)-2-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide (CID 79582213) is 1-(methylamino)-2-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-2-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-2-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide is CNC1(C(N)=O)CCCC1CCSc1n[nH]c(=O)n1C.
What is the InChIKey of 1-(methylamino)-2-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide?
The InChIKey is XDZVOBQNKUKIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-14-12(9(13)18)6-3-4-8(12)5-7-20-11-16-15-10(19)17(11)2/h8,14H,3-7H2,1-2H3,(H2,13,18)(H,15,19).
What are the key properties of 1-(methylamino)-2-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide?
1-(methylamino)-2-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide has a molecular weight of 299.40 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79582213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).