1,3-dimethylindazole-7-carbonitrile

C10H9N3 — CID 83816263

IUPAC1,3-dimethylindazole-7-carbonitrile
SMILESCc1nn(C)c2c(C#N)cccc12
InChIInChI=1S/C10H9N3/c1-7-9-5-3-4-8(6-11)10(9)13(2)12-7/h3-5H,1-2H3
InChIKeyWOXDBSBZCOUWMY-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.75
Rot. Bonds

About 1,3-dimethylindazole-7-carbonitrile

1,3-dimethylindazole-7-carbonitrile (PubChem CID 83816263) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1,3-dimethylindazole-7-carbonitrile.

Molecular Properties

Compound Name1,3-dimethylindazole-7-carbonitrile
PubChem CID83816263
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name1,3-dimethylindazole-7-carbonitrile
SMILESCc1nn(C)c2c(C#N)cccc12
InChIInChI=1S/C10H9N3/c1-7-9-5-3-4-8(6-11)10(9)13(2)12-7/h3-5H,1-2H3
InChIKeyWOXDBSBZCOUWMY-UHFFFAOYSA-N
XLogP1.75
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1,3,7-trimethylindazole
CID 171820763
1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile
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9-methylcarbazole-1,6-dicarbonitrile
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1,3-dimethyl-7-(trifluoromethoxy)indazole
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2-formyl-1,3-dimethylindole-7-carbonitrile
CID 105451423
5-amino-1,3-dimethylindazole-6-carbonitrile
CID 131443365
1-methyl-3-oxo-2H-indazole-7-carbonitrile
CID 105435392
2-(2-methylpyrazol-3-yl)benzene-1,3-dicarbonitrile
CID 173078180
1,3-dimethyl-N-prop-2-ynylindazole-7-sulfonamide
CID 174175786
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indole-4-carbonitrile
CID 107919198
2,7-dimethylindazole-3-carbonitrile
CID 84717403
CID 178017616
CID 178017616

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylindazole-7-carbonitrile?
The IUPAC name of 1,3-dimethylindazole-7-carbonitrile (CID 83816263) is 1,3-dimethylindazole-7-carbonitrile.
What is the SMILES notation for 1,3-dimethylindazole-7-carbonitrile?
The canonical SMILES for 1,3-dimethylindazole-7-carbonitrile is Cc1nn(C)c2c(C#N)cccc12.
What is the InChIKey of 1,3-dimethylindazole-7-carbonitrile?
The InChIKey is WOXDBSBZCOUWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-7-9-5-3-4-8(6-11)10(9)13(2)12-7/h3-5H,1-2H3.
What are the key properties of 1,3-dimethylindazole-7-carbonitrile?
1,3-dimethylindazole-7-carbonitrile has a molecular weight of 171.20 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylindazole-7-carbonitrile is sourced from PubChem (CID 83816263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).