1-[3-(cyclopropylamino)propyl]imidazole-4,5-dicarbonitrile

C11H13N5 — CID 112595336

IUPAC1-[3-(cyclopropylamino)propyl]imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(CCCNC2CC2)c1C#N
InChIInChI=1S/C11H13N5/c12-6-10-11(7-13)16(8-15-10)5-1-4-14-9-2-3-9/h8-9,14H,1-5H2
InChIKeyHMQOHWVRCJGZOJ-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.77
Rot. Bonds5

About 1-[3-(cyclopropylamino)propyl]imidazole-4,5-dicarbonitrile

1-[3-(cyclopropylamino)propyl]imidazole-4,5-dicarbonitrile (PubChem CID 112595336) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)propyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)propyl]imidazole-4,5-dicarbonitrile
PubChem CID112595336
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name1-[3-(cyclopropylamino)propyl]imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(CCCNC2CC2)c1C#N
InChIInChI=1S/C11H13N5/c12-6-10-11(7-13)16(8-15-10)5-1-4-14-9-2-3-9/h8-9,14H,1-5H2
InChIKeyHMQOHWVRCJGZOJ-UHFFFAOYSA-N
XLogP0.77
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(methylamino)propyl]imidazole-4,5-dicarbonitrile
CID 112595329
1-(2-chloroethyl)imidazole-4,5-dicarbonitrile
CID 112595041
1-nonylimidazole-4,5-dicarbonitrile
CID 112595489
5-(4,5-dicyanoimidazol-1-yl)pentanoic acid
CID 112595008
1-hept-6-enylimidazole-4,5-dicarbonitrile
CID 107010176
1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile
CID 112595521
N-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine
CID 62564881
1-(5-amino-5-cyanohexyl)imidazole-4,5-dicarbonitrile
CID 112595359
4-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbutanamide
CID 112595697
1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile
CID 99838739
N-[3-(benzimidazol-1-yl)propyl]oxan-4-amine
CID 43608514
N-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine
CID 28660029

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)propyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[3-(cyclopropylamino)propyl]imidazole-4,5-dicarbonitrile (CID 112595336) is 1-[3-(cyclopropylamino)propyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[3-(cyclopropylamino)propyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[3-(cyclopropylamino)propyl]imidazole-4,5-dicarbonitrile is N#Cc1ncn(CCCNC2CC2)c1C#N.
What is the InChIKey of 1-[3-(cyclopropylamino)propyl]imidazole-4,5-dicarbonitrile?
The InChIKey is HMQOHWVRCJGZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c12-6-10-11(7-13)16(8-15-10)5-1-4-14-9-2-3-9/h8-9,14H,1-5H2.
What are the key properties of 1-[3-(cyclopropylamino)propyl]imidazole-4,5-dicarbonitrile?
1-[3-(cyclopropylamino)propyl]imidazole-4,5-dicarbonitrile has a molecular weight of 215.26 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)propyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).