5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane

C13H26N2 — CID 144881790

IUPAC5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane
SMILESCC.CC.CC1(C)CCc2[nH]ncc2C1
InChIInChI=1S/C9H14N2.2C2H6/c1-9(2)4-3-8-7(5-9)6-10-11-8;2*1-2/h6H,3-5H2,1-2H3,(H,10,11);2*1-2H3
InChIKeyFUPLPBOPMZASAS-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.98
Rot. Bonds

About 5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane

5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane (PubChem CID 144881790) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane.

Molecular Properties

Compound Name5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane
PubChem CID144881790
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane
SMILESCC.CC.CC1(C)CCc2[nH]ncc2C1
InChIInChI=1S/C9H14N2.2C2H6/c1-9(2)4-3-8-7(5-9)6-10-11-8;2*1-2/h6H,3-5H2,1-2H3,(H,10,11);2*1-2H3
InChIKeyFUPLPBOPMZASAS-UHFFFAOYSA-N
XLogP3.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]
CID 25220832
6,6-dimethyl-1,4,5,7-tetrahydroindazole;3-iodo-6,6-dimethyl-1,4,5,7-tetrahydroindazole
CID 162165555
ethane;1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 144959270
spiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindazole]
CID 130730203
4-hydroxy-5,5-dimethyl-6,7-dihydro-1H-indazole-4-carboxylic acid
CID 112716470
6-iodo-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine
CID 154470853
(5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 118699358
6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde
CID 170632184
3,3,8-trimethyl-2,4-dihydro-1H-naphthalene
CID 59978113
(6S)-5-[(3aS,4R,5S,7aS)-4-formyl-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazole-6-carbaldehyde
CID 163465888
methyl 4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylate
CID 83906472
[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-bicyclo[2.2.2]octanyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 166234515

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane?
The IUPAC name of 5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane (CID 144881790) is 5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane.
What is the SMILES notation for 5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane?
The canonical SMILES for 5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane is CC.CC.CC1(C)CCc2[nH]ncc2C1.
What is the InChIKey of 5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane?
The InChIKey is FUPLPBOPMZASAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.2C2H6/c1-9(2)4-3-8-7(5-9)6-10-11-8;2*1-2/h6H,3-5H2,1-2H3,(H,10,11);2*1-2H3.
What are the key properties of 5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane?
5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane has a molecular weight of 210.36 g/mol, XLogP of 3.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane is sourced from PubChem (CID 144881790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).