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

C12H20N4O — CID 63587757

IUPAC1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexan-1-ol
SMILESOC1(CN2CCn3cnnc3C2)CCCCC1
InChIInChI=1S/C12H20N4O/c17-12(4-2-1-3-5-12)9-15-6-7-16-10-13-14-11(16)8-15/h10,17H,1-9H2
InChIKeyMGCOMZJEOUUBDS-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.79
Rot. Bonds2

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

1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexan-1-ol (PubChem CID 63587757) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexan-1-ol
PubChem CID63587757
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexan-1-ol
SMILESOC1(CN2CCn3cnnc3C2)CCCCC1
InChIInChI=1S/C12H20N4O/c17-12(4-2-1-3-5-12)9-15-6-7-16-10-13-14-11(16)8-15/h10,17H,1-9H2
InChIKeyMGCOMZJEOUUBDS-UHFFFAOYSA-N
XLogP0.79
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-hydroxycyclohexane-1-carboxylic acid
CID 106498752
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexane-1-carbaldehyde
CID 64579821
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexan-1-ol
CID 62407301
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclobutyl]methanamine
CID 115449085
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclopropyl]methanamine
CID 115453907
1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclopentan-1-amine
CID 64680170
[1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclohexyl]methanamine
CID 104678951
7-[(3-propylpyrrolidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64576798
[1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclobutyl]methanamine
CID 81170602
1-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]cyclohexan-1-ol
CID 167765545
1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]-N-methylmethanamine
CID 64577886
N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methyl]ethanamine
CID 64578471

Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexan-1-ol (CID 63587757) is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexan-1-ol is OC1(CN2CCn3cnnc3C2)CCCCC1.
What is the InChIKey of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexan-1-ol?
The InChIKey is MGCOMZJEOUUBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c17-12(4-2-1-3-5-12)9-15-6-7-16-10-13-14-11(16)8-15/h10,17H,1-9H2.
What are the key properties of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexan-1-ol?
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexan-1-ol has a molecular weight of 236.32 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 63587757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).