methanetricarbonitrile;1-methyl-3-propyl-2H-imidazole

C11H15N5 — CID 158620122

IUPACmethanetricarbonitrile;1-methyl-3-propyl-2H-imidazole
SMILESCCCN1C=CN(C)C1.N#CC(C#N)C#N
InChIInChI=1S/C7H14N2.C4HN3/c1-3-4-9-6-5-8(2)7-9;5-1-4(2-6)3-7/h5-6H,3-4,7H2,1-2H3;4H
InChIKeyHXWUMFGZYZHXSD-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.25
Rot. Bonds2

About methanetricarbonitrile;1-methyl-3-propyl-2H-imidazole

methanetricarbonitrile;1-methyl-3-propyl-2H-imidazole (PubChem CID 158620122) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is methanetricarbonitrile;1-methyl-3-propyl-2H-imidazole.

Molecular Properties

Compound Namemethanetricarbonitrile;1-methyl-3-propyl-2H-imidazole
PubChem CID158620122
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Namemethanetricarbonitrile;1-methyl-3-propyl-2H-imidazole
SMILESCCCN1C=CN(C)C1.N#CC(C#N)C#N
InChIInChI=1S/C7H14N2.C4HN3/c1-3-4-9-6-5-8(2)7-9;5-1-4(2-6)3-7/h5-6H,3-4,7H2,1-2H3;4H
InChIKeyHXWUMFGZYZHXSD-UHFFFAOYSA-N
XLogP1.25
TPSA77.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methanetricarbonitrile;1-methyl-3-propyl-2H-imidazole?
The IUPAC name of methanetricarbonitrile;1-methyl-3-propyl-2H-imidazole (CID 158620122) is methanetricarbonitrile;1-methyl-3-propyl-2H-imidazole.
What is the SMILES notation for methanetricarbonitrile;1-methyl-3-propyl-2H-imidazole?
The canonical SMILES for methanetricarbonitrile;1-methyl-3-propyl-2H-imidazole is CCCN1C=CN(C)C1.N#CC(C#N)C#N.
What is the InChIKey of methanetricarbonitrile;1-methyl-3-propyl-2H-imidazole?
The InChIKey is HXWUMFGZYZHXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C4HN3/c1-3-4-9-6-5-8(2)7-9;5-1-4(2-6)3-7/h5-6H,3-4,7H2,1-2H3;4H.
What are the key properties of methanetricarbonitrile;1-methyl-3-propyl-2H-imidazole?
methanetricarbonitrile;1-methyl-3-propyl-2H-imidazole has a molecular weight of 217.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanetricarbonitrile;1-methyl-3-propyl-2H-imidazole is sourced from PubChem (CID 158620122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).