3-ethyl-1-methyl-2,4,5,6-tetrahydroindazol-6-amine

C10H17N3 — CID 156579240

IUPAC3-ethyl-1-methyl-2,4,5,6-tetrahydroindazol-6-amine
SMILESCCC1=C2CCC(N)C=C2N(C)N1
InChIInChI=1S/C10H17N3/c1-3-9-8-5-4-7(11)6-10(8)13(2)12-9/h6-7,12H,3-5,11H2,1-2H3
InChIKeyUIVCZBGWXZULQE-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.11
Rot. Bonds1

About 3-ethyl-1-methyl-2,4,5,6-tetrahydroindazol-6-amine

3-ethyl-1-methyl-2,4,5,6-tetrahydroindazol-6-amine (PubChem CID 156579240) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-ethyl-1-methyl-2,4,5,6-tetrahydroindazol-6-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-2,4,5,6-tetrahydroindazol-6-amine
PubChem CID156579240
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-ethyl-1-methyl-2,4,5,6-tetrahydroindazol-6-amine
SMILESCCC1=C2CCC(N)C=C2N(C)N1
InChIInChI=1S/C10H17N3/c1-3-9-8-5-4-7(11)6-10(8)13(2)12-9/h6-7,12H,3-5,11H2,1-2H3
InChIKeyUIVCZBGWXZULQE-UHFFFAOYSA-N
XLogP1.11
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-2,4,5,6-tetrahydroindazol-6-amine?
The IUPAC name of 3-ethyl-1-methyl-2,4,5,6-tetrahydroindazol-6-amine (CID 156579240) is 3-ethyl-1-methyl-2,4,5,6-tetrahydroindazol-6-amine.
What is the SMILES notation for 3-ethyl-1-methyl-2,4,5,6-tetrahydroindazol-6-amine?
The canonical SMILES for 3-ethyl-1-methyl-2,4,5,6-tetrahydroindazol-6-amine is CCC1=C2CCC(N)C=C2N(C)N1.
What is the InChIKey of 3-ethyl-1-methyl-2,4,5,6-tetrahydroindazol-6-amine?
The InChIKey is UIVCZBGWXZULQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-9-8-5-4-7(11)6-10(8)13(2)12-9/h6-7,12H,3-5,11H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-2,4,5,6-tetrahydroindazol-6-amine?
3-ethyl-1-methyl-2,4,5,6-tetrahydroindazol-6-amine has a molecular weight of 179.27 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-2,4,5,6-tetrahydroindazol-6-amine is sourced from PubChem (CID 156579240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).