2-ethyl-3-methyl-3,3a,4,5,6,7-hexahydroindazole

C10H18N2 — CID 139378567

IUPAC2-ethyl-3-methyl-3,3a,4,5,6,7-hexahydroindazole
SMILESCCN1N=C2CCCCC2C1C
InChIInChI=1S/C10H18N2/c1-3-12-8(2)9-6-4-5-7-10(9)11-12/h8-9H,3-7H2,1-2H3
InChIKeyQQSVLZCWEISMKQ-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.26
Rot. Bonds1

About 2-ethyl-3-methyl-3,3a,4,5,6,7-hexahydroindazole

2-ethyl-3-methyl-3,3a,4,5,6,7-hexahydroindazole (PubChem CID 139378567) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-ethyl-3-methyl-3,3a,4,5,6,7-hexahydroindazole.

Molecular Properties

Compound Name2-ethyl-3-methyl-3,3a,4,5,6,7-hexahydroindazole
PubChem CID139378567
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-ethyl-3-methyl-3,3a,4,5,6,7-hexahydroindazole
SMILESCCN1N=C2CCCCC2C1C
InChIInChI=1S/C10H18N2/c1-3-12-8(2)9-6-4-5-7-10(9)11-12/h8-9H,3-7H2,1-2H3
InChIKeyQQSVLZCWEISMKQ-UHFFFAOYSA-N
XLogP2.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-3,3a,4,5,6,7-hexahydroindazole?
The IUPAC name of 2-ethyl-3-methyl-3,3a,4,5,6,7-hexahydroindazole (CID 139378567) is 2-ethyl-3-methyl-3,3a,4,5,6,7-hexahydroindazole.
What is the SMILES notation for 2-ethyl-3-methyl-3,3a,4,5,6,7-hexahydroindazole?
The canonical SMILES for 2-ethyl-3-methyl-3,3a,4,5,6,7-hexahydroindazole is CCN1N=C2CCCCC2C1C.
What is the InChIKey of 2-ethyl-3-methyl-3,3a,4,5,6,7-hexahydroindazole?
The InChIKey is QQSVLZCWEISMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-12-8(2)9-6-4-5-7-10(9)11-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-3-methyl-3,3a,4,5,6,7-hexahydroindazole?
2-ethyl-3-methyl-3,3a,4,5,6,7-hexahydroindazole has a molecular weight of 166.27 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-3,3a,4,5,6,7-hexahydroindazole is sourced from PubChem (CID 139378567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).