ethane;methane;1-methylindazole

C11H18N2 — CID 142166782

IUPACethane;methane;1-methylindazole
SMILESC.CC.Cn1ncc2ccccc21
InChIInChI=1S/C8H8N2.C2H6.CH4/c1-10-8-5-3-2-4-7(8)6-9-10;1-2;/h2-6H,1H3;1-2H3;1H4
InChIKeyMXYVNFDJFOBVRV-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.24
Rot. Bonds

About ethane;methane;1-methylindazole

ethane;methane;1-methylindazole (PubChem CID 142166782) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is ethane;methane;1-methylindazole.

Molecular Properties

Compound Nameethane;methane;1-methylindazole
PubChem CID142166782
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Nameethane;methane;1-methylindazole
SMILESC.CC.Cn1ncc2ccccc21
InChIInChI=1S/C8H8N2.C2H6.CH4/c1-10-8-5-3-2-4-7(8)6-9-10;1-2;/h2-6H,1H3;1-2H3;1H4
InChIKeyMXYVNFDJFOBVRV-UHFFFAOYSA-N
XLogP3.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylbenzo[h]isoquinoline;1-methylindazole
CID 143194474
1,5-dimethylindazole;ethane
CID 90788862
1-methylpyrazolo[5,4-c]pyridine
CID 59421465
1-propylindazole
CID 18695497
1-hydroxyindazole;hydrate
CID 67284666
5-deuterio-1-(trideuteriomethyl)indazole
CID 175805089
N-methylindazol-1-amine
CID 15129846
indazol-1-yl(dimethyl)alumane
CID 16692298
9-(5-carbazol-9-yl-1-methylindazol-6-yl)carbazole
CID 163427007
1-methylindazole-5-carbonitrile
CID 10583041
ethane;(1-methylindazol-6-yl)methanol
CID 168921165
1-methyl-3,5-ditritioindazole
CID 59056046

Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-methylindazole?
The IUPAC name of ethane;methane;1-methylindazole (CID 142166782) is ethane;methane;1-methylindazole.
What is the SMILES notation for ethane;methane;1-methylindazole?
The canonical SMILES for ethane;methane;1-methylindazole is C.CC.Cn1ncc2ccccc21.
What is the InChIKey of ethane;methane;1-methylindazole?
The InChIKey is MXYVNFDJFOBVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C2H6.CH4/c1-10-8-5-3-2-4-7(8)6-9-10;1-2;/h2-6H,1H3;1-2H3;1H4.
What are the key properties of ethane;methane;1-methylindazole?
ethane;methane;1-methylindazole has a molecular weight of 178.28 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-methylindazole is sourced from PubChem (CID 142166782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).