4-amino-2-(propylamino)furan-3-carbonitrile

C8H11N3O — CID 141120274

IUPAC4-amino-2-(propylamino)furan-3-carbonitrile
SMILESCCCNc1occ(N)c1C#N
InChIInChI=1S/C8H11N3O/c1-2-3-11-8-6(4-9)7(10)5-12-8/h5,11H,2-3,10H2,1H3
InChIKeyXYXIDCFCOFAIID-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.56
Rot. Bonds3

About 4-amino-2-(propylamino)furan-3-carbonitrile

4-amino-2-(propylamino)furan-3-carbonitrile (PubChem CID 141120274) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-amino-2-(propylamino)furan-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(propylamino)furan-3-carbonitrile
PubChem CID141120274
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4-amino-2-(propylamino)furan-3-carbonitrile
SMILESCCCNc1occ(N)c1C#N
InChIInChI=1S/C8H11N3O/c1-2-3-11-8-6(4-9)7(10)5-12-8/h5,11H,2-3,10H2,1H3
InChIKeyXYXIDCFCOFAIID-UHFFFAOYSA-N
XLogP1.56
TPSA74.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Diaminofuran-3-carbonitrile
CID 69335030
4-[(Z)-2-aminoethenyl]-2-N-methylfuran-2,3-diamine
CID 134334627
2-N,2-N,4-N,4-N,3-pentamethylfuran-2,4-diamine
CID 144417232
2-N,4-N,3-trimethylfuran-2,4-diamine
CID 146299904
N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethyl-2-methylpropanamide
CID 162779664
N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylacetamide
CID 166977971
N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylpropanamide
CID 170424095
tert-butyl N-[4-cyano-5-(3-oxobutanoylamino)furan-3-yl]-N-methylcarbamate
CID 171782254
tert-butyl N-[5-[(2-bromo-3-oxobutanoyl)amino]-4-cyanofuran-3-yl]-N-methylcarbamate
CID 171782257
2-N,3-N,4-N-trimethylfuran-2,3,4-triamine
CID 174474232
tert-butyl N-(5-amino-4-cyanofuran-3-yl)-N-methylcarbamate
CID 175571728
N-(1,2,3,4-tetrahydrofuro[2,3-d]pyrimidin-5-yl)acetamide
CID 161009995

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(propylamino)furan-3-carbonitrile?
The IUPAC name of 4-amino-2-(propylamino)furan-3-carbonitrile (CID 141120274) is 4-amino-2-(propylamino)furan-3-carbonitrile.
What is the SMILES notation for 4-amino-2-(propylamino)furan-3-carbonitrile?
The canonical SMILES for 4-amino-2-(propylamino)furan-3-carbonitrile is CCCNc1occ(N)c1C#N.
What is the InChIKey of 4-amino-2-(propylamino)furan-3-carbonitrile?
The InChIKey is XYXIDCFCOFAIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-2-3-11-8-6(4-9)7(10)5-12-8/h5,11H,2-3,10H2,1H3.
What are the key properties of 4-amino-2-(propylamino)furan-3-carbonitrile?
4-amino-2-(propylamino)furan-3-carbonitrile has a molecular weight of 165.20 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(propylamino)furan-3-carbonitrile is sourced from PubChem (CID 141120274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).