(1-ethyl-3-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanamine

C11H19N3 — CID 84720233

IUPAC(1-ethyl-3-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanamine
SMILESCCn1nc(C)c2c1C(CN)CCC2
InChIInChI=1S/C11H19N3/c1-3-14-11-9(7-12)5-4-6-10(11)8(2)13-14/h9H,3-7,12H2,1-2H3
InChIKeyZSWURWVWOAPNSS-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.59
Rot. Bonds2

About (1-ethyl-3-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanamine

(1-ethyl-3-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanamine (PubChem CID 84720233) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (1-ethyl-3-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-3-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanamine
PubChem CID84720233
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(1-ethyl-3-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanamine
SMILESCCn1nc(C)c2c1C(CN)CCC2
InChIInChI=1S/C11H19N3/c1-3-14-11-9(7-12)5-4-6-10(11)8(2)13-14/h9H,3-7,12H2,1-2H3
InChIKeyZSWURWVWOAPNSS-UHFFFAOYSA-N
XLogP1.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanamine?
The IUPAC name of (1-ethyl-3-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanamine (CID 84720233) is (1-ethyl-3-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanamine.
What is the SMILES notation for (1-ethyl-3-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanamine?
The canonical SMILES for (1-ethyl-3-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanamine is CCn1nc(C)c2c1C(CN)CCC2.
What is the InChIKey of (1-ethyl-3-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanamine?
The InChIKey is ZSWURWVWOAPNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-14-11-9(7-12)5-4-6-10(11)8(2)13-14/h9H,3-7,12H2,1-2H3.
What are the key properties of (1-ethyl-3-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanamine?
(1-ethyl-3-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanamine has a molecular weight of 193.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanamine is sourced from PubChem (CID 84720233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).