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

C8H11N3 — CID 112711871

IUPAC1-methyl-3a,7a-dihydroindazol-7-amine
SMILESCN1N=CC2C=CC=C(N)C21
InChIInChI=1S/C8H11N3/c1-11-8-6(5-10-11)3-2-4-7(8)9/h2-6,8H,9H2,1H3
InChIKeyNTKPHHBEAHDSKA-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.31
Rot. Bonds

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

1-methyl-3a,7a-dihydroindazol-7-amine (PubChem CID 112711871) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 1-methyl-3a,7a-dihydroindazol-7-amine.

Molecular Properties

Compound Name1-methyl-3a,7a-dihydroindazol-7-amine
PubChem CID112711871
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name1-methyl-3a,7a-dihydroindazol-7-amine
SMILESCN1N=CC2C=CC=C(N)C21
InChIInChI=1S/C8H11N3/c1-11-8-6(5-10-11)3-2-4-7(8)9/h2-6,8H,9H2,1H3
InChIKeyNTKPHHBEAHDSKA-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3a,7a-dihydroindazol-7-amine?
The IUPAC name of 1-methyl-3a,7a-dihydroindazol-7-amine (CID 112711871) is 1-methyl-3a,7a-dihydroindazol-7-amine.
What is the SMILES notation for 1-methyl-3a,7a-dihydroindazol-7-amine?
The canonical SMILES for 1-methyl-3a,7a-dihydroindazol-7-amine is CN1N=CC2C=CC=C(N)C21.
What is the InChIKey of 1-methyl-3a,7a-dihydroindazol-7-amine?
The InChIKey is NTKPHHBEAHDSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-11-8-6(5-10-11)3-2-4-7(8)9/h2-6,8H,9H2,1H3.
What are the key properties of 1-methyl-3a,7a-dihydroindazol-7-amine?
1-methyl-3a,7a-dihydroindazol-7-amine has a molecular weight of 149.20 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3a,7a-dihydroindazol-7-amine is sourced from PubChem (CID 112711871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).