1-[(1-ethylimidazol-2-yl)methyl]piperazine-2-carbonitrile

C11H17N5 — CID 79085370

IUPAC1-[(1-ethylimidazol-2-yl)methyl]piperazine-2-carbonitrile
SMILESCCn1ccnc1CN1CCNCC1C#N
InChIInChI=1S/C11H17N5/c1-2-15-6-4-14-11(15)9-16-5-3-13-8-10(16)7-12/h4,6,10,13H,2-3,5,8-9H2,1H3
InChIKeyMVGXKOSXQBSTGG-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.20
Rot. Bonds3

About 1-[(1-ethylimidazol-2-yl)methyl]piperazine-2-carbonitrile

1-[(1-ethylimidazol-2-yl)methyl]piperazine-2-carbonitrile (PubChem CID 79085370) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]piperazine-2-carbonitrile
PubChem CID79085370
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]piperazine-2-carbonitrile
SMILESCCn1ccnc1CN1CCNCC1C#N
InChIInChI=1S/C11H17N5/c1-2-15-6-4-14-11(15)9-16-5-3-13-8-10(16)7-12/h4,6,10,13H,2-3,5,8-9H2,1H3
InChIKeyMVGXKOSXQBSTGG-UHFFFAOYSA-N
XLogP0.20
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]piperazine-2-carbonitrile?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]piperazine-2-carbonitrile (CID 79085370) is 1-[(1-ethylimidazol-2-yl)methyl]piperazine-2-carbonitrile.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]piperazine-2-carbonitrile?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]piperazine-2-carbonitrile is CCn1ccnc1CN1CCNCC1C#N.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]piperazine-2-carbonitrile?
The InChIKey is MVGXKOSXQBSTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-2-15-6-4-14-11(15)9-16-5-3-13-8-10(16)7-12/h4,6,10,13H,2-3,5,8-9H2,1H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]piperazine-2-carbonitrile?
1-[(1-ethylimidazol-2-yl)methyl]piperazine-2-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]piperazine-2-carbonitrile is sourced from PubChem (CID 79085370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).