7-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C19H27N5 — CID 70814001

IUPAC7-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCN1CC2CC2(C2=CCC(N3CCn4c(C)nnc4C3)C=C2)C1
InChIInChI=1S/C19H27N5/c1-3-22-11-16-10-19(16,13-22)15-4-6-17(7-5-15)23-8-9-24-14(2)20-21-18(24)12-23/h4-6,16-17H,3,7-13H2,1-2H3
InChIKeyKUWDUMJSZVVAEB-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.00
Rot. Bonds3

About 7-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 70814001) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 7-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID70814001
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name7-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCN1CC2CC2(C2=CCC(N3CCn4c(C)nnc4C3)C=C2)C1
InChIInChI=1S/C19H27N5/c1-3-22-11-16-10-19(16,13-22)15-4-6-17(7-5-15)23-8-9-24-14(2)20-21-18(24)12-23/h4-6,16-17H,3,7-13H2,1-2H3
InChIKeyKUWDUMJSZVVAEB-UHFFFAOYSA-N
XLogP2.00
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 70814001) is 7-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCN1CC2CC2(C2=CCC(N3CCn4c(C)nnc4C3)C=C2)C1.
What is the InChIKey of 7-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KUWDUMJSZVVAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-3-22-11-16-10-19(16,13-22)15-4-6-17(7-5-15)23-8-9-24-14(2)20-21-18(24)12-23/h4-6,16-17H,3,7-13H2,1-2H3.
What are the key properties of 7-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 325.46 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 70814001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).