[1-(methylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol

C12H22N4OS — CID 79582029

IUPAC[1-(methylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCSc1nncn1C
InChIInChI=1S/C12H22N4OS/c1-13-12(8-17)6-3-4-10(12)5-7-18-11-15-14-9-16(11)2/h9-10,13,17H,3-8H2,1-2H3
InChIKeyJQYRYXLDDQJCON-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.05
Rot. Bonds6

About [1-(methylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol

[1-(methylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol (PubChem CID 79582029) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is [1-(methylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(methylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol
PubChem CID79582029
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name[1-(methylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCSc1nncn1C
InChIInChI=1S/C12H22N4OS/c1-13-12(8-17)6-3-4-10(12)5-7-18-11-15-14-9-16(11)2/h9-10,13,17H,3-8H2,1-2H3
InChIKeyJQYRYXLDDQJCON-UHFFFAOYSA-N
XLogP1.05
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol
CID 79581796
2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79586712
methyl 1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 79586715
[2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol
CID 79581049
[1-(methylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentyl]methanol
CID 79581366
[2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol
CID 79581103
[1-(methylamino)-2-(2-pentylsulfanylethyl)cyclopentyl]methanol
CID 107764649
[2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79571011
[1-(methylamino)-2-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclopentyl]methanol
CID 79571468
3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 62357888
[1-(propan-2-ylamino)-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclopentyl]methanol
CID 79581950
[1-(ethylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol
CID 79581411

Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol?
The IUPAC name of [1-(methylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol (CID 79582029) is [1-(methylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-(methylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-(methylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol is CNC1(CO)CCCC1CCSc1nncn1C.
What is the InChIKey of [1-(methylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol?
The InChIKey is JQYRYXLDDQJCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-13-12(8-17)6-3-4-10(12)5-7-18-11-15-14-9-16(11)2/h9-10,13,17H,3-8H2,1-2H3.
What are the key properties of [1-(methylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol?
[1-(methylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol has a molecular weight of 270.40 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79582029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).