ethane;3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carbonitrile

C10H12N4 — CID 145441048

IUPACethane;3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carbonitrile
SMILESCC.Cc1[nH]nc2cnc(C#N)cc12
InChIInChI=1S/C8H6N4.C2H6/c1-5-7-2-6(3-9)10-4-8(7)12-11-5;1-2/h2,4H,1H3,(H,11,12);1-2H3
InChIKeyMRLNDRQAXMNTJR-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.16
Rot. Bonds

About ethane;3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carbonitrile

ethane;3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carbonitrile (PubChem CID 145441048) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is ethane;3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Nameethane;3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carbonitrile
PubChem CID145441048
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Nameethane;3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carbonitrile
SMILESCC.Cc1[nH]nc2cnc(C#N)cc12
InChIInChI=1S/C8H6N4.C2H6/c1-5-7-2-6(3-9)10-4-8(7)12-11-5;1-2/h2,4H,1H3,(H,11,12);1-2H3
InChIKeyMRLNDRQAXMNTJR-UHFFFAOYSA-N
XLogP2.16
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile
CID 121232183
5-fluoro-3-methyl-2H-indazole-6-carbonitrile
CID 172582230
3,6-dimethyl-2H-pyrazolo[4,3-c]pyridine
CID 58047438
3,6-dimethyl-2H-pyrazolo[4,3-c]pyridine;molecular hydrogen
CID 144598952
6-bromo-3,5-dimethyl-2H-indazole;ethane
CID 178017805
5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carbonitrile
CID 81341848
1H-pyrrolo[2,3-c]pyridine-3,5-dicarbonitrile
CID 68804667
4-chloro-5-methylpyridine-2-carbonitrile
CID 75422082
5-fluoro-4-methylpyridine-2-carbonitrile
CID 118235335
ethane;6-methoxy-3-methyl-2H-indazole
CID 142896061
3-methyl-5-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2H-pyrazolo[3,4-c]pyridine
CID 163233886
6-chloro-3,5-dimethyl-2H-indazole
CID 89021116

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of ethane;3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carbonitrile (CID 145441048) is ethane;3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for ethane;3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for ethane;3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carbonitrile is CC.Cc1[nH]nc2cnc(C#N)cc12.
What is the InChIKey of ethane;3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carbonitrile?
The InChIKey is MRLNDRQAXMNTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4.C2H6/c1-5-7-2-6(3-9)10-4-8(7)12-11-5;1-2/h2,4H,1H3,(H,11,12);1-2H3.
What are the key properties of ethane;3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carbonitrile?
ethane;3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carbonitrile has a molecular weight of 188.23 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 145441048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).