3-methyl-5,7a-dihydroindazol-1-amine

C8H11N3 — CID 90977846

IUPAC3-methyl-5,7a-dihydroindazol-1-amine
SMILESCC1=NN(N)C2C=CCC=C12
InChIInChI=1S/C8H11N3/c1-6-7-4-2-3-5-8(7)11(9)10-6/h3-5,8H,2,9H2,1H3
InChIKeyREWGYIRSBHUIKL-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.81
Rot. Bonds

About 3-methyl-5,7a-dihydroindazol-1-amine

3-methyl-5,7a-dihydroindazol-1-amine (PubChem CID 90977846) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 3-methyl-5,7a-dihydroindazol-1-amine.

Molecular Properties

Compound Name3-methyl-5,7a-dihydroindazol-1-amine
PubChem CID90977846
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name3-methyl-5,7a-dihydroindazol-1-amine
SMILESCC1=NN(N)C2C=CCC=C12
InChIInChI=1S/C8H11N3/c1-6-7-4-2-3-5-8(7)11(9)10-6/h3-5,8H,2,9H2,1H3
InChIKeyREWGYIRSBHUIKL-UHFFFAOYSA-N
XLogP0.81
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dimethyl-5,7a-dihydroindazole
CID 21336393
1,3-Dimethyl-5,7a-dihydroindazole;ethane
CID 90787896
3,5-dihydro-2H-indazole
CID 91531332
2,4,7-Trimethyl-1,7a-dihydrobenzotriazole
CID 123166588
(7aR)-3-methyl-1,7a-dihydroindazol-5-imine
CID 137061735
(7aS)-3-methyl-1,7a-dihydroindazol-5-imine
CID 137061736
3-[(E)-but-1-enyl]-4-methylidene-1,5-dihydropyrazole
CID 143710821

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,7a-dihydroindazol-1-amine?
The IUPAC name of 3-methyl-5,7a-dihydroindazol-1-amine (CID 90977846) is 3-methyl-5,7a-dihydroindazol-1-amine.
What is the SMILES notation for 3-methyl-5,7a-dihydroindazol-1-amine?
The canonical SMILES for 3-methyl-5,7a-dihydroindazol-1-amine is CC1=NN(N)C2C=CCC=C12.
What is the InChIKey of 3-methyl-5,7a-dihydroindazol-1-amine?
The InChIKey is REWGYIRSBHUIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-6-7-4-2-3-5-8(7)11(9)10-6/h3-5,8H,2,9H2,1H3.
What are the key properties of 3-methyl-5,7a-dihydroindazol-1-amine?
3-methyl-5,7a-dihydroindazol-1-amine has a molecular weight of 149.20 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,7a-dihydroindazol-1-amine is sourced from PubChem (CID 90977846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).