1-ethyl-4,5,6,7-tetrahydroindazol-5-amine

C9H15N3 — CID 84717099

IUPAC1-ethyl-4,5,6,7-tetrahydroindazol-5-amine
SMILESCCn1ncc2c1CCC(N)C2
InChIInChI=1S/C9H15N3/c1-2-12-9-4-3-8(10)5-7(9)6-11-12/h6,8H,2-5,10H2,1H3
InChIKeyAEYDCXOBVKXQGU-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.72
Rot. Bonds1

About 1-ethyl-4,5,6,7-tetrahydroindazol-5-amine

1-ethyl-4,5,6,7-tetrahydroindazol-5-amine (PubChem CID 84717099) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-ethyl-4,5,6,7-tetrahydroindazol-5-amine.

Molecular Properties

Compound Name1-ethyl-4,5,6,7-tetrahydroindazol-5-amine
PubChem CID84717099
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-ethyl-4,5,6,7-tetrahydroindazol-5-amine
SMILESCCn1ncc2c1CCC(N)C2
InChIInChI=1S/C9H15N3/c1-2-12-9-4-3-8(10)5-7(9)6-11-12/h6,8H,2-5,10H2,1H3
InChIKeyAEYDCXOBVKXQGU-UHFFFAOYSA-N
XLogP0.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,5,6,7-tetrahydroindazol-5-amine?
The IUPAC name of 1-ethyl-4,5,6,7-tetrahydroindazol-5-amine (CID 84717099) is 1-ethyl-4,5,6,7-tetrahydroindazol-5-amine.
What is the SMILES notation for 1-ethyl-4,5,6,7-tetrahydroindazol-5-amine?
The canonical SMILES for 1-ethyl-4,5,6,7-tetrahydroindazol-5-amine is CCn1ncc2c1CCC(N)C2.
What is the InChIKey of 1-ethyl-4,5,6,7-tetrahydroindazol-5-amine?
The InChIKey is AEYDCXOBVKXQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-12-9-4-3-8(10)5-7(9)6-11-12/h6,8H,2-5,10H2,1H3.
What are the key properties of 1-ethyl-4,5,6,7-tetrahydroindazol-5-amine?
1-ethyl-4,5,6,7-tetrahydroindazol-5-amine has a molecular weight of 165.24 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,5,6,7-tetrahydroindazol-5-amine is sourced from PubChem (CID 84717099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).