1-ethenyl-4,5,6,7-tetrahydroindazole

C9H12N2 — CID 13403405

IUPAC1-ethenyl-4,5,6,7-tetrahydroindazole
SMILESC=Cn1ncc2c1CCCC2
InChIInChI=1S/C9H12N2/c1-2-11-9-6-4-3-5-8(9)7-10-11/h2,7H,1,3-6H2
InChIKeyKYASLQGQXRGFQD-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.86
Rot. Bonds1

About 1-ethenyl-4,5,6,7-tetrahydroindazole

1-ethenyl-4,5,6,7-tetrahydroindazole (PubChem CID 13403405) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-ethenyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-ethenyl-4,5,6,7-tetrahydroindazole
PubChem CID13403405
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1-ethenyl-4,5,6,7-tetrahydroindazole
SMILESC=Cn1ncc2c1CCCC2
InChIInChI=1S/C9H12N2/c1-2-11-9-6-4-3-5-8(9)7-10-11/h2,7H,1,3-6H2
InChIKeyKYASLQGQXRGFQD-UHFFFAOYSA-N
XLogP1.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-ethenyl-4,5,6,7-tetrahydroindazole (CID 13403405) is 1-ethenyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-ethenyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-ethenyl-4,5,6,7-tetrahydroindazole is C=Cn1ncc2c1CCCC2.
What is the InChIKey of 1-ethenyl-4,5,6,7-tetrahydroindazole?
The InChIKey is KYASLQGQXRGFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-11-9-6-4-3-5-8(9)7-10-11/h2,7H,1,3-6H2.
What are the key properties of 1-ethenyl-4,5,6,7-tetrahydroindazole?
1-ethenyl-4,5,6,7-tetrahydroindazole has a molecular weight of 148.21 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 13403405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).