5-isocyano-1,3-dimethylindazole

C10H9N3 — CID 58847572

IUPAC5-isocyano-1,3-dimethylindazole
SMILES[C-]#[N+]c1ccc2c(c1)c(C)nn2C
InChIInChI=1S/C10H9N3/c1-7-9-6-8(11-2)4-5-10(9)13(3)12-7/h4-6H,1,3H3
InChIKeyZFZQHYJUNQXCOJ-UHFFFAOYSA-N
MW171.20 g/mol
LogP2.43
Rot. Bonds

About 5-isocyano-1,3-dimethylindazole

5-isocyano-1,3-dimethylindazole (PubChem CID 58847572) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-isocyano-1,3-dimethylindazole.

Molecular Properties

Compound Name5-isocyano-1,3-dimethylindazole
PubChem CID58847572
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name5-isocyano-1,3-dimethylindazole
SMILES[C-]#[N+]c1ccc2c(c1)c(C)nn2C
InChIInChI=1S/C10H9N3/c1-7-9-6-8(11-2)4-5-10(9)13(3)12-7/h4-6H,1,3H3
InChIKeyZFZQHYJUNQXCOJ-UHFFFAOYSA-N
XLogP2.43
TPSA22.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1,3-dimethylindazol-5-yl)-trimethyl-λ4-sulfane
CID 123597078
1,3-dimethyl-5-propan-2-ylindazole;3-iodo-1-methyl-5-propan-2-ylindazole
CID 158986215
N'-hydroxy-1,3-dimethylindazole-5-carboximidamide
CID 134478014
6-isocyano-4-methyl-2,3-benzoxazin-1-one
CID 11159734
2-isocyano-6,9-dimethylcarbazole
CID 158421593
6-fluoro-1,3-dimethylindazole
CID 59514053
azane;1,3-dimethylpyrazolo[4,5-c]pyridine
CID 175481142
5-amino-1,3-dimethylindazole-6-carboxylic acid
CID 84722038
6-bromo-1,3-dimethylindazole;ethane
CID 145062136
6-(2,2-dimethylpropyl)-1,3-dimethylindazole
CID 166958458
5-bromo-1,3-dimethylindazole;1,3-dimethyl-5-[(3R)-3-methylpiperazin-1-yl]indazole
CID 69105747
[3-(1,3-dimethylindazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117359748

Frequently Asked Questions

What is the IUPAC name of 5-isocyano-1,3-dimethylindazole?
The IUPAC name of 5-isocyano-1,3-dimethylindazole (CID 58847572) is 5-isocyano-1,3-dimethylindazole.
What is the SMILES notation for 5-isocyano-1,3-dimethylindazole?
The canonical SMILES for 5-isocyano-1,3-dimethylindazole is [C-]#[N+]c1ccc2c(c1)c(C)nn2C.
What is the InChIKey of 5-isocyano-1,3-dimethylindazole?
The InChIKey is ZFZQHYJUNQXCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-7-9-6-8(11-2)4-5-10(9)13(3)12-7/h4-6H,1,3H3.
What are the key properties of 5-isocyano-1,3-dimethylindazole?
5-isocyano-1,3-dimethylindazole has a molecular weight of 171.20 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyano-1,3-dimethylindazole is sourced from PubChem (CID 58847572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).