1-butyl-2-ethylindazol-2-ium

C13H19N2+ — CID 132969090

IUPAC1-butyl-2-ethylindazol-2-ium
SMILESCCCCn1c2ccccc2c[n+]1CC
InChIInChI=1S/C13H19N2/c1-3-5-10-15-13-9-7-6-8-12(13)11-14(15)4-2/h6-9,11H,3-5,10H2,1-2H3/q+1
InChIKeyHOSSWLZAPYYQGW-UHFFFAOYSA-N
MW203.31 g/mol
LogP2.75
Rot. Bonds4

About 1-butyl-2-ethylindazol-2-ium

1-butyl-2-ethylindazol-2-ium (PubChem CID 132969090) has the molecular formula C13H19N2+ and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-butyl-2-ethylindazol-2-ium.

Molecular Properties

Compound Name1-butyl-2-ethylindazol-2-ium
PubChem CID132969090
Molecular FormulaC13H19N2+
Molecular Weight203.31 g/mol
Exact Mass203.15
IUPAC Name1-butyl-2-ethylindazol-2-ium
SMILESCCCCn1c2ccccc2c[n+]1CC
InChIInChI=1S/C13H19N2/c1-3-5-10-15-13-9-7-6-8-12(13)11-14(15)4-2/h6-9,11H,3-5,10H2,1-2H3/q+1
InChIKeyHOSSWLZAPYYQGW-UHFFFAOYSA-N
XLogP2.75
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1-phenylindazol-2-ium
CID 102532299
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
1-pentyl-2-phenylindole
CID 54214068
acetic acid;1-butylindole
CID 162326365
1-nonyl-2-propylindole
CID 19869956
CID 177394292
CID 177394292
1-methyl-2-propylindole
CID 13170349
2-methyl-1-tetradecylindole
CID 19869962
1-butyl-3-methylbenzimidazol-3-ium bromide
CID 87786122
1-butylindazol-3-amine
CID 62686774
methoxymethane;naphthalene;pentane
CID 91431163
5-butylbenzo[k]phenanthridin-6-one
CID 46885584

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-ethylindazol-2-ium?
The IUPAC name of 1-butyl-2-ethylindazol-2-ium (CID 132969090) is 1-butyl-2-ethylindazol-2-ium.
What is the SMILES notation for 1-butyl-2-ethylindazol-2-ium?
The canonical SMILES for 1-butyl-2-ethylindazol-2-ium is CCCCn1c2ccccc2c[n+]1CC.
What is the InChIKey of 1-butyl-2-ethylindazol-2-ium?
The InChIKey is HOSSWLZAPYYQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N2/c1-3-5-10-15-13-9-7-6-8-12(13)11-14(15)4-2/h6-9,11H,3-5,10H2,1-2H3/q+1.
What are the key properties of 1-butyl-2-ethylindazol-2-ium?
1-butyl-2-ethylindazol-2-ium has a molecular weight of 203.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-ethylindazol-2-ium is sourced from PubChem (CID 132969090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).