5-amino-1,3-dimethylindazole-6-carbonitrile

C10H10N4 — CID 131443365

IUPAC5-amino-1,3-dimethylindazole-6-carbonitrile
SMILESCc1nn(C)c2cc(C#N)c(N)cc12
InChIInChI=1S/C10H10N4/c1-6-8-4-9(12)7(5-11)3-10(8)14(2)13-6/h3-4H,12H2,1-2H3
InChIKeyDCKWIUMSNODRJU-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.34
Rot. Bonds

About 5-amino-1,3-dimethylindazole-6-carbonitrile

5-amino-1,3-dimethylindazole-6-carbonitrile (PubChem CID 131443365) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 5-amino-1,3-dimethylindazole-6-carbonitrile.

Molecular Properties

Compound Name5-amino-1,3-dimethylindazole-6-carbonitrile
PubChem CID131443365
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name5-amino-1,3-dimethylindazole-6-carbonitrile
SMILESCc1nn(C)c2cc(C#N)c(N)cc12
InChIInChI=1S/C10H10N4/c1-6-8-4-9(12)7(5-11)3-10(8)14(2)13-6/h3-4H,12H2,1-2H3
InChIKeyDCKWIUMSNODRJU-UHFFFAOYSA-N
XLogP1.34
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-dimethylindazole-6-carbonitrile?
The IUPAC name of 5-amino-1,3-dimethylindazole-6-carbonitrile (CID 131443365) is 5-amino-1,3-dimethylindazole-6-carbonitrile.
What is the SMILES notation for 5-amino-1,3-dimethylindazole-6-carbonitrile?
The canonical SMILES for 5-amino-1,3-dimethylindazole-6-carbonitrile is Cc1nn(C)c2cc(C#N)c(N)cc12.
What is the InChIKey of 5-amino-1,3-dimethylindazole-6-carbonitrile?
The InChIKey is DCKWIUMSNODRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-6-8-4-9(12)7(5-11)3-10(8)14(2)13-6/h3-4H,12H2,1-2H3.
What are the key properties of 5-amino-1,3-dimethylindazole-6-carbonitrile?
5-amino-1,3-dimethylindazole-6-carbonitrile has a molecular weight of 186.22 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-dimethylindazole-6-carbonitrile is sourced from PubChem (CID 131443365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).