3a,4,7,7a-tetrahydro-3H-indazol-7-amine

C7H11N3 — CID 90815776

IUPAC3a,4,7,7a-tetrahydro-3H-indazol-7-amine
SMILESNC1C=CCC2CN=NC12
InChIInChI=1S/C7H11N3/c8-6-3-1-2-5-4-9-10-7(5)6/h1,3,5-7H,2,4,8H2
InChIKeyISELNEDTTWOTAT-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.72
Rot. Bonds

About 3a,4,7,7a-tetrahydro-3H-indazol-7-amine

3a,4,7,7a-tetrahydro-3H-indazol-7-amine (PubChem CID 90815776) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 3a,4,7,7a-tetrahydro-3H-indazol-7-amine.

Molecular Properties

Compound Name3a,4,7,7a-tetrahydro-3H-indazol-7-amine
PubChem CID90815776
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name3a,4,7,7a-tetrahydro-3H-indazol-7-amine
SMILESNC1C=CCC2CN=NC12
InChIInChI=1S/C7H11N3/c8-6-3-1-2-5-4-9-10-7(5)6/h1,3,5-7H,2,4,8H2
InChIKeyISELNEDTTWOTAT-UHFFFAOYSA-N
XLogP0.72
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3a,4,5,7a-tetrahydro-3H-indazole
CID 13594555
4-Azidomethyl-cyclopent-2-enylamine
CID 18753689
3a,4,7,7a-tetrahydro-3H-indazole
CID 57082614
(1R,3S,6R)-6-methylcyclohex-4-ene-1,3-diamine
CID 59710846
6-Methylcyclohex-4-ene-1,3-diamine
CID 72365195
5-Methylcyclohex-2-ene-1,4-diamine
CID 89668858
3a,6,7,7a-tetrahydro-3H-indazole
CID 91458428
(6R)-6-methylcyclohex-3-ene-1,2-diamine
CID 132124630
cis-6-Aminomethyl-cyclohex-3-enylamine
CID 15811479
(1R,6S)-6-(Aminomethyl)cyclohex-3-EN-1-amine
CID 15811480
(1S,6R)-6-(Aminomethyl)cyclohex-3-enamine
CID 45078749
cis-6-Aminomethylcyclohex-3-enylamine
CID 45078750

Frequently Asked Questions

What is the IUPAC name of 3a,4,7,7a-tetrahydro-3H-indazol-7-amine?
The IUPAC name of 3a,4,7,7a-tetrahydro-3H-indazol-7-amine (CID 90815776) is 3a,4,7,7a-tetrahydro-3H-indazol-7-amine.
What is the SMILES notation for 3a,4,7,7a-tetrahydro-3H-indazol-7-amine?
The canonical SMILES for 3a,4,7,7a-tetrahydro-3H-indazol-7-amine is NC1C=CCC2CN=NC12.
What is the InChIKey of 3a,4,7,7a-tetrahydro-3H-indazol-7-amine?
The InChIKey is ISELNEDTTWOTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c8-6-3-1-2-5-4-9-10-7(5)6/h1,3,5-7H,2,4,8H2.
What are the key properties of 3a,4,7,7a-tetrahydro-3H-indazol-7-amine?
3a,4,7,7a-tetrahydro-3H-indazol-7-amine has a molecular weight of 137.19 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,7,7a-tetrahydro-3H-indazol-7-amine is sourced from PubChem (CID 90815776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).