1-ethynylindazole

C9H6N2 — CID 118207133

IUPAC1-ethynylindazole
SMILESC#Cn1ncc2ccccc21
InChIInChI=1S/C9H6N2/c1-2-11-9-6-4-3-5-8(9)7-10-11/h1,3-7H
InChIKeyWYXZSAPFBFDSDC-UHFFFAOYSA-N
MW142.16 g/mol
LogP1.48
Rot. Bonds

About 1-ethynylindazole

1-ethynylindazole (PubChem CID 118207133) has the molecular formula C9H6N2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 1-ethynylindazole.

Molecular Properties

Compound Name1-ethynylindazole
PubChem CID118207133
Molecular FormulaC9H6N2
Molecular Weight142.16 g/mol
Exact Mass142.05
IUPAC Name1-ethynylindazole
SMILESC#Cn1ncc2ccccc21
InChIInChI=1S/C9H6N2/c1-2-11-9-6-4-3-5-8(9)7-10-11/h1,3-7H
InChIKeyWYXZSAPFBFDSDC-UHFFFAOYSA-N
XLogP1.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bicyclo[3.1.0]hexa-1(6),2,4-triene;1-ethynylindazol-5-amine
CID 22567245
1-hydroxyindazole;hydrate
CID 67284666
1,2-di(indazol-1-yl)ethane-1,2-dione
CID 139197503
CID 119080865
CID 119080865
methyl 1-ethynylindazole-7-carboxylate
CID 152655100
indazole-1-sulfonyl chloride
CID 87951720
1-propan-2-yloxyindazole
CID 141134934
ethane;methane;1-methylindazole
CID 142166782
potassium tri(indazol-1-yl)boranuide
CID 134910198
indazole-1-carboxamide;trihydrochloride
CID 173083346
indazol-1-yl(dimethyl)alumane
CID 16692298
N-methylindazol-1-amine
CID 15129846

Frequently Asked Questions

What is the IUPAC name of 1-ethynylindazole?
The IUPAC name of 1-ethynylindazole (CID 118207133) is 1-ethynylindazole.
What is the SMILES notation for 1-ethynylindazole?
The canonical SMILES for 1-ethynylindazole is C#Cn1ncc2ccccc21.
What is the InChIKey of 1-ethynylindazole?
The InChIKey is WYXZSAPFBFDSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2/c1-2-11-9-6-4-3-5-8(9)7-10-11/h1,3-7H.
What are the key properties of 1-ethynylindazole?
1-ethynylindazole has a molecular weight of 142.16 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynylindazole is sourced from PubChem (CID 118207133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).