4-(pent-4-en-2-ylamino)cinnoline-3-carbonitrile

C14H14N4 — CID 113466643

IUPAC4-(pent-4-en-2-ylamino)cinnoline-3-carbonitrile
SMILESC=CCC(C)Nc1c(C#N)nnc2ccccc12
InChIInChI=1S/C14H14N4/c1-3-6-10(2)16-14-11-7-4-5-8-12(11)17-18-13(14)9-15/h3-5,7-8,10H,1,6H2,2H3,(H,16,17)
InChIKeyPBUBWGLDLWXWHI-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.88
Rot. Bonds4

About 4-(pent-4-en-2-ylamino)cinnoline-3-carbonitrile

4-(pent-4-en-2-ylamino)cinnoline-3-carbonitrile (PubChem CID 113466643) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(pent-4-en-2-ylamino)cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-(pent-4-en-2-ylamino)cinnoline-3-carbonitrile
PubChem CID113466643
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name4-(pent-4-en-2-ylamino)cinnoline-3-carbonitrile
SMILESC=CCC(C)Nc1c(C#N)nnc2ccccc12
InChIInChI=1S/C14H14N4/c1-3-6-10(2)16-14-11-7-4-5-8-12(11)17-18-13(14)9-15/h3-5,7-8,10H,1,6H2,2H3,(H,16,17)
InChIKeyPBUBWGLDLWXWHI-UHFFFAOYSA-N
XLogP2.88
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-methylhexan-2-ylamino)cinnoline-3-carbonitrile
CID 64897700
4-(heptan-2-ylamino)cinnoline-3-carbonitrile
CID 64897480
4-(2,2,3-trimethylbutylamino)cinnoline-3-carbonitrile
CID 102609039
4-(5-methylhexylamino)cinnoline-3-carbonitrile
CID 79002738
4-(1-aminopentan-2-ylamino)cinnoline-3-carbonitrile
CID 65192784
4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile
CID 79359952
4-[1-(5-chlorothiophen-2-yl)ethylamino]cinnoline-3-carbonitrile
CID 64897695
4-(2-ethoxyethylamino)cinnoline-3-carbonitrile
CID 64900269
4-[(2-ethyl-2-hydroxybutyl)amino]cinnoline-3-carbonitrile
CID 64982839
4-[(3-hydroxy-4-methoxybutyl)amino]cinnoline-3-carbonitrile
CID 103875760
4-[(1-propylcyclopropyl)methylamino]cinnoline-3-carbonitrile
CID 103761703
4-[(2-amino-2-cyclopropylethyl)amino]cinnoline-3-carbonitrile
CID 115301445

Frequently Asked Questions

What is the IUPAC name of 4-(pent-4-en-2-ylamino)cinnoline-3-carbonitrile?
The IUPAC name of 4-(pent-4-en-2-ylamino)cinnoline-3-carbonitrile (CID 113466643) is 4-(pent-4-en-2-ylamino)cinnoline-3-carbonitrile.
What is the SMILES notation for 4-(pent-4-en-2-ylamino)cinnoline-3-carbonitrile?
The canonical SMILES for 4-(pent-4-en-2-ylamino)cinnoline-3-carbonitrile is C=CCC(C)Nc1c(C#N)nnc2ccccc12.
What is the InChIKey of 4-(pent-4-en-2-ylamino)cinnoline-3-carbonitrile?
The InChIKey is PBUBWGLDLWXWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-3-6-10(2)16-14-11-7-4-5-8-12(11)17-18-13(14)9-15/h3-5,7-8,10H,1,6H2,2H3,(H,16,17).
What are the key properties of 4-(pent-4-en-2-ylamino)cinnoline-3-carbonitrile?
4-(pent-4-en-2-ylamino)cinnoline-3-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pent-4-en-2-ylamino)cinnoline-3-carbonitrile is sourced from PubChem (CID 113466643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).