ethane;2-methyl-2-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanenitrile

C13H18N4 — CID 155727279

IUPACethane;2-methyl-2-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanenitrile
SMILESCC.Cc1cnn2cc(C(C)(C)C#N)cnc12
InChIInChI=1S/C11H12N4.C2H6/c1-8-4-14-15-6-9(5-13-10(8)15)11(2,3)7-12;1-2/h4-6H,1-3H3;1-2H3
InChIKeyADPCBWRZIMOMMH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.87
Rot. Bonds1

About ethane;2-methyl-2-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanenitrile

ethane;2-methyl-2-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanenitrile (PubChem CID 155727279) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethane;2-methyl-2-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanenitrile.

Molecular Properties

Compound Nameethane;2-methyl-2-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanenitrile
PubChem CID155727279
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Nameethane;2-methyl-2-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanenitrile
SMILESCC.Cc1cnn2cc(C(C)(C)C#N)cnc12
InChIInChI=1S/C11H12N4.C2H6/c1-8-4-14-15-6-9(5-13-10(8)15)11(2,3)7-12;1-2/h4-6H,1-3H3;1-2H3
InChIKeyADPCBWRZIMOMMH-UHFFFAOYSA-N
XLogP2.87
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;2-methyl-2-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine
CID 165415159
2-Methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 14501859
6-Bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 49757472
4-Ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 12916105
3,6-Dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 12847959
2-Methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 1483183
N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
CID 57293064
3-t-Butyl-8-methylpyrazolo[5,1-c][1,2,4]triazine
CID 146037688
3-[(1,6-Dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-prop-2-enylamino]propanenitrile
CID 121571436
6-Tert-butyl-2-(4-fluoropent-2-en-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 123583424
2-Fluoro-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 145436390
6-Tert-butyl-2-fluoropyrazolo[1,5-a]pyrimidine
CID 146435520

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-2-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanenitrile?
The IUPAC name of ethane;2-methyl-2-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanenitrile (CID 155727279) is ethane;2-methyl-2-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanenitrile.
What is the SMILES notation for ethane;2-methyl-2-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanenitrile?
The canonical SMILES for ethane;2-methyl-2-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanenitrile is CC.Cc1cnn2cc(C(C)(C)C#N)cnc12.
What is the InChIKey of ethane;2-methyl-2-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanenitrile?
The InChIKey is ADPCBWRZIMOMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4.C2H6/c1-8-4-14-15-6-9(5-13-10(8)15)11(2,3)7-12;1-2/h4-6H,1-3H3;1-2H3.
What are the key properties of ethane;2-methyl-2-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanenitrile?
ethane;2-methyl-2-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanenitrile has a molecular weight of 230.31 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-2-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanenitrile is sourced from PubChem (CID 155727279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).