1-methyl-3a,6,7,7a-tetrahydroindazole

C8H12N2 — CID 119054653

IUPAC1-methyl-3a,6,7,7a-tetrahydroindazole
SMILESCN1N=CC2C=CCCC21
InChIInChI=1S/C8H12N2/c1-10-8-5-3-2-4-7(8)6-9-10/h2,4,6-8H,3,5H2,1H3
InChIKeyYVYRWOAHYIOHDK-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.25
Rot. Bonds

About 1-methyl-3a,6,7,7a-tetrahydroindazole

1-methyl-3a,6,7,7a-tetrahydroindazole (PubChem CID 119054653) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-methyl-3a,6,7,7a-tetrahydroindazole.

Molecular Properties

Compound Name1-methyl-3a,6,7,7a-tetrahydroindazole
PubChem CID119054653
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-methyl-3a,6,7,7a-tetrahydroindazole
SMILESCN1N=CC2C=CCCC21
InChIInChI=1S/C8H12N2/c1-10-8-5-3-2-4-7(8)6-9-10/h2,4,6-8H,3,5H2,1H3
InChIKeyYVYRWOAHYIOHDK-UHFFFAOYSA-N
XLogP1.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3aR,7aR)-1-tert-butyl-3a,6,7,7a-tetrahydroindazole
CID 124844099
3,4,4a,5,6,8a-hexahydroisoquinoline
CID 57198919
ethane;8-methyl-8-azabicyclo[5.1.0]oct-3-ene
CID 91279361
4a,7,8,8a-tetrahydro-2H-1,3-benzoxazine
CID 123582196
(3S)-3-methylcyclopentene
CID 11018803
(1R,4Z,8S)-9-tert-butyl-9-azabicyclo[6.1.0]non-4-ene
CID 170283660
1-methyl-3a,7a-dihydroindazol-5-amine
CID 112711870
cyclopent-2-en-1-yl(trimethyl)germane
CID 23264491
7,8,9-trioxabicyclo[4.2.1]non-2-ene
CID 102201788
3,3,4,4-tetramethyl-1,2,4a,7,8,8a-hexahydronaphthalene
CID 154160378
N-methyl-4a,7,8,8a-tetrahydroquinolin-3-amine
CID 166648323
(4S)-2,4-dimethyl-3,4-dihydropyrazole
CID 59391435

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3a,6,7,7a-tetrahydroindazole?
The IUPAC name of 1-methyl-3a,6,7,7a-tetrahydroindazole (CID 119054653) is 1-methyl-3a,6,7,7a-tetrahydroindazole.
What is the SMILES notation for 1-methyl-3a,6,7,7a-tetrahydroindazole?
The canonical SMILES for 1-methyl-3a,6,7,7a-tetrahydroindazole is CN1N=CC2C=CCCC21.
What is the InChIKey of 1-methyl-3a,6,7,7a-tetrahydroindazole?
The InChIKey is YVYRWOAHYIOHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-10-8-5-3-2-4-7(8)6-9-10/h2,4,6-8H,3,5H2,1H3.
What are the key properties of 1-methyl-3a,6,7,7a-tetrahydroindazole?
1-methyl-3a,6,7,7a-tetrahydroindazole has a molecular weight of 136.20 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3a,6,7,7a-tetrahydroindazole is sourced from PubChem (CID 119054653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).