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

C13H20N4O — CID 64579821

IUPAC1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexane-1-carbaldehyde
SMILESO=CC1(CN2CCn3cnnc3C2)CCCCC1
InChIInChI=1S/C13H20N4O/c18-10-13(4-2-1-3-5-13)9-16-6-7-17-11-14-15-12(17)8-16/h10-11H,1-9H2
InChIKeyOLIRDROWFABIQH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.24
Rot. Bonds3

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

1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexane-1-carbaldehyde (PubChem CID 64579821) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexane-1-carbaldehyde
PubChem CID64579821
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexane-1-carbaldehyde
SMILESO=CC1(CN2CCn3cnnc3C2)CCCCC1
InChIInChI=1S/C13H20N4O/c18-10-13(4-2-1-3-5-13)9-16-6-7-17-11-14-15-12(17)8-16/h10-11H,1-9H2
InChIKeyOLIRDROWFABIQH-UHFFFAOYSA-N
XLogP1.24
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexan-1-ol
CID 63587757
[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-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-one
CID 64577447
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-hydroxycyclohexane-1-carboxylic acid
CID 106498752
N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methyl]ethanamine
CID 64578471
2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclopropyl]-N'-hydroxyethanimidamide
CID 77070723
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]prop-2-en-1-amine
CID 64580628

Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexane-1-carbaldehyde (CID 64579821) is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexane-1-carbaldehyde is O=CC1(CN2CCn3cnnc3C2)CCCCC1.
What is the InChIKey of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexane-1-carbaldehyde?
The InChIKey is OLIRDROWFABIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c18-10-13(4-2-1-3-5-13)9-16-6-7-17-11-14-15-12(17)8-16/h10-11H,1-9H2.
What are the key properties of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexane-1-carbaldehyde?
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexane-1-carbaldehyde has a molecular weight of 248.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 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)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 64579821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).