6-but-1-ynyl-1H-indazole

C11H10N2 — CID 58499151

IUPAC6-but-1-ynyl-1H-indazole
SMILESCCC#Cc1ccc2cn[nH]c2c1
InChIInChI=1S/C11H10N2/c1-2-3-4-9-5-6-10-8-12-13-11(10)7-9/h5-8H,2H2,1H3,(H,12,13)
InChIKeyYFOKBHPQBHMFRX-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.32
Rot. Bonds

About 6-but-1-ynyl-1H-indazole

6-but-1-ynyl-1H-indazole (PubChem CID 58499151) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 6-but-1-ynyl-1H-indazole.

Molecular Properties

Compound Name6-but-1-ynyl-1H-indazole
PubChem CID58499151
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name6-but-1-ynyl-1H-indazole
SMILESCCC#Cc1ccc2cn[nH]c2c1
InChIInChI=1S/C11H10N2/c1-2-3-4-9-5-6-10-8-12-13-11(10)7-9/h5-8H,2H2,1H3,(H,12,13)
InChIKeyYFOKBHPQBHMFRX-UHFFFAOYSA-N
XLogP2.32
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(1H-indazol-6-yl)but-3-ynoate
CID 170471395
2,6-bis(but-1-ynyl)anthracene
CID 58131971
6-methyl-1H-indazole;molecular hydrogen
CID 142103069
ethene;6-methyl-1H-indazole
CID 123213038
ethyl 4-(1H-indazol-5-yl)but-3-ynoate
CID 170471387
6-(2-methylbutan-2-yl)-1H-indazole
CID 89048123
5-but-1-ynyl-4-fluoro-1H-indazole
CID 123393114
5,6-diethyl-1H-indazole
CID 123175477
ethane;6-methoxy-1H-indazole
CID 144719676
N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride
CID 115606796
6-but-1-ynyl-4-methyl-2H-phthalazin-1-one
CID 169220106
molecular hydrogen;6-[(E)-pent-1-enyl]-1H-indazole
CID 143443392

Frequently Asked Questions

What is the IUPAC name of 6-but-1-ynyl-1H-indazole?
The IUPAC name of 6-but-1-ynyl-1H-indazole (CID 58499151) is 6-but-1-ynyl-1H-indazole.
What is the SMILES notation for 6-but-1-ynyl-1H-indazole?
The canonical SMILES for 6-but-1-ynyl-1H-indazole is CCC#Cc1ccc2cn[nH]c2c1.
What is the InChIKey of 6-but-1-ynyl-1H-indazole?
The InChIKey is YFOKBHPQBHMFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-3-4-9-5-6-10-8-12-13-11(10)7-9/h5-8H,2H2,1H3,(H,12,13).
What are the key properties of 6-but-1-ynyl-1H-indazole?
6-but-1-ynyl-1H-indazole has a molecular weight of 170.21 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-1-ynyl-1H-indazole is sourced from PubChem (CID 58499151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).