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

C13H24N4OS — CID 79581796

IUPAC[1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol
SMILESCCNC1(CO)CCCC1CCSc1nncn1C
InChIInChI=1S/C13H24N4OS/c1-3-14-13(9-18)7-4-5-11(13)6-8-19-12-16-15-10-17(12)2/h10-11,14,18H,3-9H2,1-2H3
InChIKeyRJJNIJNBXQTZOM-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.44
Rot. Bonds7

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

[1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol (PubChem CID 79581796) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is [1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol
PubChem CID79581796
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name[1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol
SMILESCCNC1(CO)CCCC1CCSc1nncn1C
InChIInChI=1S/C13H24N4OS/c1-3-14-13(9-18)7-4-5-11(13)6-8-19-12-16-15-10-17(12)2/h10-11,14,18H,3-9H2,1-2H3
InChIKeyRJJNIJNBXQTZOM-UHFFFAOYSA-N
XLogP1.44
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol?
The IUPAC name of [1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol (CID 79581796) is [1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol is CCNC1(CO)CCCC1CCSc1nncn1C.
What is the InChIKey of [1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol?
The InChIKey is RJJNIJNBXQTZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-3-14-13(9-18)7-4-5-11(13)6-8-19-12-16-15-10-17(12)2/h10-11,14,18H,3-9H2,1-2H3.
What are the key properties of [1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol?
[1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol has a molecular weight of 284.43 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79581796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).