5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2,2-dimethylcyclopentan-1-ol

C13H22N4O — CID 79855825

IUPAC5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(CN2CCn3cnnc3C2)C1O
InChIInChI=1S/C13H22N4O/c1-13(2)4-3-10(12(13)18)7-16-5-6-17-9-14-15-11(17)8-16/h9-10,12,18H,3-8H2,1-2H3
InChIKeyJTLZXUQMWATMDJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.89
Rot. Bonds2

About 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2,2-dimethylcyclopentan-1-ol

5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2,2-dimethylcyclopentan-1-ol (PubChem CID 79855825) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2,2-dimethylcyclopentan-1-ol
PubChem CID79855825
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(CN2CCn3cnnc3C2)C1O
InChIInChI=1S/C13H22N4O/c1-13(2)4-3-10(12(13)18)7-16-5-6-17-9-14-15-11(17)8-16/h9-10,12,18H,3-8H2,1-2H3
InChIKeyJTLZXUQMWATMDJ-UHFFFAOYSA-N
XLogP0.89
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2,2-dimethylcyclopentan-1-ol (CID 79855825) is 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2,2-dimethylcyclopentan-1-ol is CC1(C)CCC(CN2CCn3cnnc3C2)C1O.
What is the InChIKey of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2,2-dimethylcyclopentan-1-ol?
The InChIKey is JTLZXUQMWATMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2)4-3-10(12(13)18)7-16-5-6-17-9-14-15-11(17)8-16/h9-10,12,18H,3-8H2,1-2H3.
What are the key properties of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2,2-dimethylcyclopentan-1-ol?
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2,2-dimethylcyclopentan-1-ol has a molecular weight of 250.35 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 79855825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).