2-(methylamino)-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanenitrile

C7H10N4O — CID 170631752

IUPAC2-(methylamino)-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanenitrile
SMILESCNC(C#N)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H10N4O/c1-9-5(3-8)2-6-4-10-7(12)11-6/h4-5,9H,2H2,1H3,(H2,10,11,12)
InChIKeyRECFEJIWXHFQAM-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.64
Rot. Bonds3

About 2-(methylamino)-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanenitrile

2-(methylamino)-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanenitrile (PubChem CID 170631752) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(methylamino)-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanenitrile.

Molecular Properties

Compound Name2-(methylamino)-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanenitrile
PubChem CID170631752
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name2-(methylamino)-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanenitrile
SMILESCNC(C#N)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H10N4O/c1-9-5(3-8)2-6-4-10-7(12)11-6/h4-5,9H,2H2,1H3,(H2,10,11,12)
InChIKeyRECFEJIWXHFQAM-UHFFFAOYSA-N
XLogP-0.64
TPSA84.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-propyl-1H-imidazol-2(3H)-one
CID 15567529
4-(3-Aminopropyl)-1,3-dihydroimidazol-2-one
CID 11458001
4-Aminopent-4-en-2-ylurea
CID 89234840
4-[(2R)-2-aminopropyl]-1,3-dihydroimidazol-2-one
CID 91498080
Molecular hydrogen;4-propyl-1,3-dihydroimidazol-2-one
CID 143874040
N-[1-cyano-2-(2-oxo-1,3-dihydroimidazol-4-yl)ethyl]acetamide
CID 170631698
4-[2-(Methylamino)ethyl]-1,3-dihydroimidazol-2-one
CID 84020693
4-(2-Aminopropyl)-1,3-dimethylimidazol-2-one
CID 112712075
N-[1-cyano-2-(3-methyl-2-oxo-1H-imidazol-5-yl)ethyl]formamide
CID 170631537

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanenitrile?
The IUPAC name of 2-(methylamino)-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanenitrile (CID 170631752) is 2-(methylamino)-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanenitrile.
What is the SMILES notation for 2-(methylamino)-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanenitrile?
The canonical SMILES for 2-(methylamino)-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanenitrile is CNC(C#N)Cc1c[nH]c(=O)[nH]1.
What is the InChIKey of 2-(methylamino)-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanenitrile?
The InChIKey is RECFEJIWXHFQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-9-5(3-8)2-6-4-10-7(12)11-6/h4-5,9H,2H2,1H3,(H2,10,11,12).
What are the key properties of 2-(methylamino)-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanenitrile?
2-(methylamino)-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanenitrile has a molecular weight of 166.18 g/mol, XLogP of -0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanenitrile is sourced from PubChem (CID 170631752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).