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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Related Compounds

(2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine
CID 82761036
1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine-2-carbonitrile
CID 79085966
1-(pyrimidin-2-ylmethyl)piperazine-2-carbonitrile
CID 79086103
1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperazine-2-carbonitrile
CID 79085778
1-[(1-methylpyrazol-3-yl)methyl]piperazine-2-carbonitrile
CID 82868583
1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperazine-2-carbonitrile
CID 79086078
1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperazine-2-carbonitrile
CID 103173617
1-[(2-chloro-3-pyridinyl)methyl]piperazine-2-carbonitrile
CID 79084941
1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2-carbonitrile
CID 79085339
1-[(1-ethylimidazol-2-yl)methyl]diazinane
CID 131219616
1-[(4-chlorophenyl)methyl]piperazine-2-carbonitrile
CID 79085643
1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperazine-2-carbonitrile
CID 79085028

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).