(2S)-1-cyclopentyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-2-ol

C13H22N4O — CID 164636154

IUPAC(2S)-1-cyclopentyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-2-ol
SMILESO[C@@H](CC1CCCC1)CN1CCn2ncnc2C1
InChIInChI=1S/C13H22N4O/c18-12(7-11-3-1-2-4-11)8-16-5-6-17-13(9-16)14-10-15-17/h10-12,18H,1-9H2/t12-/m0/s1
InChIKeyBTBNKFOGQGYMAQ-LBPRGKRZSA-N
MW250.35 g/mol
LogP1.03
Rot. Bonds4

About (2S)-1-cyclopentyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-2-ol

(2S)-1-cyclopentyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-2-ol (PubChem CID 164636154) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (2S)-1-cyclopentyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-cyclopentyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-2-ol
PubChem CID164636154
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(2S)-1-cyclopentyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-2-ol
SMILESO[C@@H](CC1CCCC1)CN1CCn2ncnc2C1
InChIInChI=1S/C13H22N4O/c18-12(7-11-3-1-2-4-11)8-16-5-6-17-13(9-16)14-10-15-17/h10-12,18H,1-9H2/t12-/m0/s1
InChIKeyBTBNKFOGQGYMAQ-LBPRGKRZSA-N
XLogP1.03
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 130621572
7-(piperidin-4-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride
CID 120848588
1-cyclopentyl-3-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-2-ol
CID 154754238
7-prop-2-ynyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 130652137
(3S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol
CID 103160998
(3R)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol
CID 103160997
1-cyclohexyl-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanol
CID 104752839
1-cyclopentyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 103160187
1-(3-cyclopentyl-2-hydroxypropyl)-3-ethylpiperidin-4-ol
CID 103161296
1-(3-cyclopentyl-2-hydroxypropyl)piperidine-4-carboxylic acid
CID 103159267
[4-[(2S)-3-cyclopentyl-2-hydroxypropyl]piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 124847688
1-cyclopentyl-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 103274721

Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclopentyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-2-ol?
The IUPAC name of (2S)-1-cyclopentyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-2-ol (CID 164636154) is (2S)-1-cyclopentyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-cyclopentyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-2-ol?
The canonical SMILES for (2S)-1-cyclopentyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-2-ol is O[C@@H](CC1CCCC1)CN1CCn2ncnc2C1.
What is the InChIKey of (2S)-1-cyclopentyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-2-ol?
The InChIKey is BTBNKFOGQGYMAQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N4O/c18-12(7-11-3-1-2-4-11)8-16-5-6-17-13(9-16)14-10-15-17/h10-12,18H,1-9H2/t12-/m0/s1.
What are the key properties of (2S)-1-cyclopentyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-2-ol?
(2S)-1-cyclopentyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-2-ol has a molecular weight of 250.35 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclopentyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-2-ol is sourced from PubChem (CID 164636154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).