2,2-dimethyl-5-(4-methyl-5-oxo-1,2,4-triazol-1-yl)pentanenitrile

C10H16N4O — CID 75390802

IUPAC2,2-dimethyl-5-(4-methyl-5-oxo-1,2,4-triazol-1-yl)pentanenitrile
SMILESCn1cnn(CCCC(C)(C)C#N)c1=O
InChIInChI=1S/C10H16N4O/c1-10(2,7-11)5-4-6-14-9(15)13(3)8-12-14/h8H,4-6H2,1-3H3
InChIKeyDRSVPLPTYYJGNH-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.91
Rot. Bonds4

About 2,2-dimethyl-5-(4-methyl-5-oxo-1,2,4-triazol-1-yl)pentanenitrile

2,2-dimethyl-5-(4-methyl-5-oxo-1,2,4-triazol-1-yl)pentanenitrile (PubChem CID 75390802) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2,2-dimethyl-5-(4-methyl-5-oxo-1,2,4-triazol-1-yl)pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-(4-methyl-5-oxo-1,2,4-triazol-1-yl)pentanenitrile
PubChem CID75390802
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2,2-dimethyl-5-(4-methyl-5-oxo-1,2,4-triazol-1-yl)pentanenitrile
SMILESCn1cnn(CCCC(C)(C)C#N)c1=O
InChIInChI=1S/C10H16N4O/c1-10(2,7-11)5-4-6-14-9(15)13(3)8-12-14/h8H,4-6H2,1-3H3
InChIKeyDRSVPLPTYYJGNH-UHFFFAOYSA-N
XLogP0.91
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(4-methyl-5-oxo-1,2,4-triazol-1-yl)pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-(4-methyl-5-oxo-1,2,4-triazol-1-yl)pentanenitrile (CID 75390802) is 2,2-dimethyl-5-(4-methyl-5-oxo-1,2,4-triazol-1-yl)pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-(4-methyl-5-oxo-1,2,4-triazol-1-yl)pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-(4-methyl-5-oxo-1,2,4-triazol-1-yl)pentanenitrile is Cn1cnn(CCCC(C)(C)C#N)c1=O.
What is the InChIKey of 2,2-dimethyl-5-(4-methyl-5-oxo-1,2,4-triazol-1-yl)pentanenitrile?
The InChIKey is DRSVPLPTYYJGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-10(2,7-11)5-4-6-14-9(15)13(3)8-12-14/h8H,4-6H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-(4-methyl-5-oxo-1,2,4-triazol-1-yl)pentanenitrile?
2,2-dimethyl-5-(4-methyl-5-oxo-1,2,4-triazol-1-yl)pentanenitrile has a molecular weight of 208.26 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(4-methyl-5-oxo-1,2,4-triazol-1-yl)pentanenitrile is sourced from PubChem (CID 75390802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).