2-[4-(aminomethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol

C12H21N3O — CID 82593218

IUPAC2-[4-(aminomethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCCc1nn(CCO)c2c1C(CN)CCC2
InChIInChI=1S/C12H21N3O/c1-2-10-12-9(8-13)4-3-5-11(12)15(14-10)6-7-16/h9,16H,2-8,13H2,1H3
InChIKeyDNMRMEGDUKKUOG-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.82
Rot. Bonds4

About 2-[4-(aminomethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol

2-[4-(aminomethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 82593218) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID82593218
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[4-(aminomethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCCc1nn(CCO)c2c1C(CN)CCC2
InChIInChI=1S/C12H21N3O/c1-2-10-12-9(8-13)4-3-5-11(12)15(14-10)6-7-16/h9,16H,2-8,13H2,1H3
InChIKeyDNMRMEGDUKKUOG-UHFFFAOYSA-N
XLogP0.82
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-(aminomethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 82593218) is 2-[4-(aminomethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(aminomethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(aminomethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol is CCc1nn(CCO)c2c1C(CN)CCC2.
What is the InChIKey of 2-[4-(aminomethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is DNMRMEGDUKKUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-10-12-9(8-13)4-3-5-11(12)15(14-10)6-7-16/h9,16H,2-8,13H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-(aminomethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 223.32 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 82593218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).