[1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentyl]methanol

C12H22N4O — CID 79581671

IUPAC[1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentyl]methanol
SMILESCc1nc(C)n(CCC2CCCC2(N)CO)n1
InChIInChI=1S/C12H22N4O/c1-9-14-10(2)16(15-9)7-5-11-4-3-6-12(11,13)8-17/h11,17H,3-8,13H2,1-2H3
InChIKeyQWVXIAVGMINIKZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.77
Rot. Bonds4

About [1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentyl]methanol

[1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentyl]methanol (PubChem CID 79581671) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentyl]methanol
PubChem CID79581671
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentyl]methanol
SMILESCc1nc(C)n(CCC2CCCC2(N)CO)n1
InChIInChI=1S/C12H22N4O/c1-9-14-10(2)16(15-9)7-5-11-4-3-6-12(11,13)8-17/h11,17H,3-8,13H2,1-2H3
InChIKeyQWVXIAVGMINIKZ-UHFFFAOYSA-N
XLogP0.77
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571488
[1-amino-2-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]cyclopentyl]methanol
CID 79581981
[1-amino-2-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol
CID 114540899
[1-amino-2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentyl]methanol
CID 79571817
[1-amino-2-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclopentyl]methanol
CID 79571172
[1-amino-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclopentyl]methanol
CID 79581722
[1-amino-2-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol
CID 79571982
1,5-bis(3,5-dimethyl-1,2,4-triazol-1-yl)pentan-3-one
CID 174840503
[1-amino-2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]cyclopentyl]methanol
CID 79571094
[1-amino-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol
CID 79571069
[1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol
CID 79581045
[1-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol
CID 79581557

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentyl]methanol (CID 79581671) is [1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentyl]methanol is Cc1nc(C)n(CCC2CCCC2(N)CO)n1.
What is the InChIKey of [1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentyl]methanol?
The InChIKey is QWVXIAVGMINIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-14-10(2)16(15-9)7-5-11-4-3-6-12(11,13)8-17/h11,17H,3-8,13H2,1-2H3.
What are the key properties of [1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentyl]methanol?
[1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentyl]methanol has a molecular weight of 238.33 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79581671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).