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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Related Compounds

4H,5H,6H,7H-pyrazolo(1,5-a)pyridine
CID 13785278
4,5,6,7-Tetrahydro-1H-indazole-1-propanoic acid
CID 16765314
1-ethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 65356404
2-(propan-2-yl)-4,5,6,7-tetrahydro-2H-indazol-6-amine
CID 71758750
4,5,6,7-Tetrahydro-1-methyl-1H-indazol-4-amine
CID 43243410
N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 43254490
2-Methyl-4,5,6,7-tetrahydro-2H-indazol-5-amine
CID 45121281
2-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine
CID 69037234
1-ethyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 84717099
1-(Trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 91573377
5-(3,3-Difluorocyclohexyl)-1-methylpyrazole
CID 134224471
2-Methyl-4,5,6,7-tetrahydro-2H-indazole
CID 21724025

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).