5-(3-propyltriazol-4-yl)furan-2-carbaldehyde

C10H11N3O2 — CID 106886632

IUPAC5-(3-propyltriazol-4-yl)furan-2-carbaldehyde
SMILESCCCn1nncc1-c1ccc(C=O)o1
InChIInChI=1S/C10H11N3O2/c1-2-5-13-9(6-11-12-13)10-4-3-8(7-14)15-10/h3-4,6-7H,2,5H2,1H3
InChIKeyJYVGTZGFLJFUBV-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.76
Rot. Bonds4

About 5-(3-propyltriazol-4-yl)furan-2-carbaldehyde

5-(3-propyltriazol-4-yl)furan-2-carbaldehyde (PubChem CID 106886632) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 5-(3-propyltriazol-4-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-propyltriazol-4-yl)furan-2-carbaldehyde
PubChem CID106886632
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name5-(3-propyltriazol-4-yl)furan-2-carbaldehyde
SMILESCCCn1nncc1-c1ccc(C=O)o1
InChIInChI=1S/C10H11N3O2/c1-2-5-13-9(6-11-12-13)10-4-3-8(7-14)15-10/h3-4,6-7H,2,5H2,1H3
InChIKeyJYVGTZGFLJFUBV-UHFFFAOYSA-N
XLogP1.76
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-propyltriazol-4-yl)benzaldehyde
CID 114689705
4-(3-propyltriazol-4-yl)aniline
CID 82205210
5-(4-propylsulfanylphenyl)furan-2-carbaldehyde
CID 169333150
5-[4-(1-methylpyrazol-4-yl)phenyl]furan-2-carbaldehyde
CID 169332573
2-(3-propyltriazol-4-yl)pyridin-3-ol
CID 136993168
2-hydroxy-2-(3-propyltriazol-4-yl)propanal
CID 114685149
3-hydroxy-4-(3-propyltriazol-4-yl)benzoic acid
CID 136886181
4-methyl-3-(3-propyltriazol-4-yl)pyridin-2-amine
CID 114690230
ethane;5-methyl-1-propyltriazole
CID 164526823
N-methyl-3-(3-propyltriazol-4-yl)pyrazin-2-amine
CID 114691130
5-(4-ethylphenyl)furan-2-carbaldehyde;methanol
CID 142207596
2,5-dimethyl-4-(3-propyltriazol-4-yl)-1H-pyrimidin-6-one
CID 137004350

Frequently Asked Questions

What is the IUPAC name of 5-(3-propyltriazol-4-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(3-propyltriazol-4-yl)furan-2-carbaldehyde (CID 106886632) is 5-(3-propyltriazol-4-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3-propyltriazol-4-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3-propyltriazol-4-yl)furan-2-carbaldehyde is CCCn1nncc1-c1ccc(C=O)o1.
What is the InChIKey of 5-(3-propyltriazol-4-yl)furan-2-carbaldehyde?
The InChIKey is JYVGTZGFLJFUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-5-13-9(6-11-12-13)10-4-3-8(7-14)15-10/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 5-(3-propyltriazol-4-yl)furan-2-carbaldehyde?
5-(3-propyltriazol-4-yl)furan-2-carbaldehyde has a molecular weight of 205.22 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propyltriazol-4-yl)furan-2-carbaldehyde is sourced from PubChem (CID 106886632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).