2-methyl-2-(2-methylpropyl)indazol-2-ium

C12H17N2+ — CID 91165767

IUPAC2-methyl-2-(2-methylpropyl)indazol-2-ium
SMILESCC(C)C[N+]1(C)C=c2ccccc2=N1
InChIInChI=1S/C12H17N2/c1-10(2)8-14(3)9-11-6-4-5-7-12(11)13-14/h4-7,9-10H,8H2,1-3H3/q+1
InChIKeyUFGZWLNJTWIFHT-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.08
Rot. Bonds2

About 2-methyl-2-(2-methylpropyl)indazol-2-ium

2-methyl-2-(2-methylpropyl)indazol-2-ium (PubChem CID 91165767) has the molecular formula C12H17N2+ and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-methyl-2-(2-methylpropyl)indazol-2-ium.

Molecular Properties

Compound Name2-methyl-2-(2-methylpropyl)indazol-2-ium
PubChem CID91165767
Molecular FormulaC12H17N2+
Molecular Weight189.28 g/mol
Exact Mass189.14
IUPAC Name2-methyl-2-(2-methylpropyl)indazol-2-ium
SMILESCC(C)C[N+]1(C)C=c2ccccc2=N1
InChIInChI=1S/C12H17N2/c1-10(2)8-14(3)9-11-6-4-5-7-12(11)13-14/h4-7,9-10H,8H2,1-3H3/q+1
InChIKeyUFGZWLNJTWIFHT-UHFFFAOYSA-N
XLogP1.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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N-methyl-N-[(E)-(3-methylcyclohexa-2,4-dien-1-ylidene)amino]ethanamine
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2,4-Dimethyl-3,7-dihydroindazole;ethane
CID 145087226
ethane;N-methyl-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]ethanamine
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2-Tert-butyl-1,2-benzodiazepine
CID 151318527
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylpropyl)indazol-2-ium?
The IUPAC name of 2-methyl-2-(2-methylpropyl)indazol-2-ium (CID 91165767) is 2-methyl-2-(2-methylpropyl)indazol-2-ium.
What is the SMILES notation for 2-methyl-2-(2-methylpropyl)indazol-2-ium?
The canonical SMILES for 2-methyl-2-(2-methylpropyl)indazol-2-ium is CC(C)C[N+]1(C)C=c2ccccc2=N1.
What is the InChIKey of 2-methyl-2-(2-methylpropyl)indazol-2-ium?
The InChIKey is UFGZWLNJTWIFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N2/c1-10(2)8-14(3)9-11-6-4-5-7-12(11)13-14/h4-7,9-10H,8H2,1-3H3/q+1.
What are the key properties of 2-methyl-2-(2-methylpropyl)indazol-2-ium?
2-methyl-2-(2-methylpropyl)indazol-2-ium has a molecular weight of 189.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylpropyl)indazol-2-ium is sourced from PubChem (CID 91165767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).