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

C10H16FN3 — CID 83854743

IUPAC(1-ethyl-6-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanamine
SMILESCCn1nc(CN)c2c1CC(F)CC2
InChIInChI=1S/C10H16FN3/c1-2-14-10-5-7(11)3-4-8(10)9(6-12)13-14/h7H,2-6,12H2,1H3
InChIKeyJZRWBZMXINJNAH-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.19
Rot. Bonds2

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

(1-ethyl-6-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanamine (PubChem CID 83854743) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is (1-ethyl-6-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-6-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanamine
PubChem CID83854743
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name(1-ethyl-6-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanamine
SMILESCCn1nc(CN)c2c1CC(F)CC2
InChIInChI=1S/C10H16FN3/c1-2-14-10-5-7(11)3-4-8(10)9(6-12)13-14/h7H,2-6,12H2,1H3
InChIKeyJZRWBZMXINJNAH-UHFFFAOYSA-N
XLogP1.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-6-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanamine?
The IUPAC name of (1-ethyl-6-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanamine (CID 83854743) is (1-ethyl-6-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanamine.
What is the SMILES notation for (1-ethyl-6-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanamine?
The canonical SMILES for (1-ethyl-6-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanamine is CCn1nc(CN)c2c1CC(F)CC2.
What is the InChIKey of (1-ethyl-6-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanamine?
The InChIKey is JZRWBZMXINJNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-2-14-10-5-7(11)3-4-8(10)9(6-12)13-14/h7H,2-6,12H2,1H3.
What are the key properties of (1-ethyl-6-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanamine?
(1-ethyl-6-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanamine has a molecular weight of 197.26 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-6-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanamine is sourced from PubChem (CID 83854743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).