5-(ethylamino)-1-methylimidazole-4-carbonitrile

C7H10N4 — CID 10606909

IUPAC5-(ethylamino)-1-methylimidazole-4-carbonitrile
SMILESCCNc1c(C#N)ncn1C
InChIInChI=1S/C7H10N4/c1-3-9-7-6(4-8)10-5-11(7)2/h5,9H,3H2,1-2H3
InChIKeyVZHUENWPMLSHBY-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.72
Rot. Bonds2

About 5-(ethylamino)-1-methylimidazole-4-carbonitrile

5-(ethylamino)-1-methylimidazole-4-carbonitrile (PubChem CID 10606909) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 5-(ethylamino)-1-methylimidazole-4-carbonitrile.

Molecular Properties

Compound Name5-(ethylamino)-1-methylimidazole-4-carbonitrile
PubChem CID10606909
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name5-(ethylamino)-1-methylimidazole-4-carbonitrile
SMILESCCNc1c(C#N)ncn1C
InChIInChI=1S/C7H10N4/c1-3-9-7-6(4-8)10-5-11(7)2/h5,9H,3H2,1-2H3
InChIKeyVZHUENWPMLSHBY-UHFFFAOYSA-N
XLogP0.72
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-1-methylimidazole-4-carbonitrile?
The IUPAC name of 5-(ethylamino)-1-methylimidazole-4-carbonitrile (CID 10606909) is 5-(ethylamino)-1-methylimidazole-4-carbonitrile.
What is the SMILES notation for 5-(ethylamino)-1-methylimidazole-4-carbonitrile?
The canonical SMILES for 5-(ethylamino)-1-methylimidazole-4-carbonitrile is CCNc1c(C#N)ncn1C.
What is the InChIKey of 5-(ethylamino)-1-methylimidazole-4-carbonitrile?
The InChIKey is VZHUENWPMLSHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-3-9-7-6(4-8)10-5-11(7)2/h5,9H,3H2,1-2H3.
What are the key properties of 5-(ethylamino)-1-methylimidazole-4-carbonitrile?
5-(ethylamino)-1-methylimidazole-4-carbonitrile has a molecular weight of 150.18 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-1-methylimidazole-4-carbonitrile is sourced from PubChem (CID 10606909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).