5-(furan-2-yl)-3-(4-propan-2-ylphenyl)triazol-4-amine

C15H16N4O — CID 82370405

IUPAC5-(furan-2-yl)-3-(4-propan-2-ylphenyl)triazol-4-amine
SMILESCC(C)c1ccc(-n2nnc(-c3ccco3)c2N)cc1
InChIInChI=1S/C15H16N4O/c1-10(2)11-5-7-12(8-6-11)19-15(16)14(17-18-19)13-4-3-9-20-13/h3-10H,16H2,1-2H3
InChIKeyYZKXEPZHTNYXOL-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.23
Rot. Bonds3

About 5-(furan-2-yl)-3-(4-propan-2-ylphenyl)triazol-4-amine

5-(furan-2-yl)-3-(4-propan-2-ylphenyl)triazol-4-amine (PubChem CID 82370405) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(4-propan-2-ylphenyl)triazol-4-amine.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(4-propan-2-ylphenyl)triazol-4-amine
PubChem CID82370405
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-(furan-2-yl)-3-(4-propan-2-ylphenyl)triazol-4-amine
SMILESCC(C)c1ccc(-n2nnc(-c3ccco3)c2N)cc1
InChIInChI=1S/C15H16N4O/c1-10(2)11-5-7-12(8-6-11)19-15(16)14(17-18-19)13-4-3-9-20-13/h3-10H,16H2,1-2H3
InChIKeyYZKXEPZHTNYXOL-UHFFFAOYSA-N
XLogP3.23
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-methylphenyl)-5-(furan-2-yl)triazol-4-amine
CID 82370656
3-(2,6-dimethylphenyl)-5-(furan-2-yl)triazol-4-amine
CID 82370391
3-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)triazol-4-amine
CID 82370247
2-[5-amino-4-(furan-2-yl)triazol-1-yl]benzoic acid
CID 82370818
3-(4-chlorophenyl)-5-propan-2-yltriazol-4-amine
CID 105498545
2-[5-amino-4-(4-propan-2-ylphenyl)triazol-1-yl]phenol
CID 82370605
5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 27260956
5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 22310084
1-[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]propan-1-amine
CID 107431517
5-(4-methylphenyl)-3-phenyltriazol-4-amine
CID 82370748
5-(3-methoxyphenyl)-3-phenyltriazol-4-amine
CID 14612161
3-(4-propan-2-ylphenyl)-1,2,3-benzotriazin-4-one
CID 2806547

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(4-propan-2-ylphenyl)triazol-4-amine?
The IUPAC name of 5-(furan-2-yl)-3-(4-propan-2-ylphenyl)triazol-4-amine (CID 82370405) is 5-(furan-2-yl)-3-(4-propan-2-ylphenyl)triazol-4-amine.
What is the SMILES notation for 5-(furan-2-yl)-3-(4-propan-2-ylphenyl)triazol-4-amine?
The canonical SMILES for 5-(furan-2-yl)-3-(4-propan-2-ylphenyl)triazol-4-amine is CC(C)c1ccc(-n2nnc(-c3ccco3)c2N)cc1.
What is the InChIKey of 5-(furan-2-yl)-3-(4-propan-2-ylphenyl)triazol-4-amine?
The InChIKey is YZKXEPZHTNYXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10(2)11-5-7-12(8-6-11)19-15(16)14(17-18-19)13-4-3-9-20-13/h3-10H,16H2,1-2H3.
What are the key properties of 5-(furan-2-yl)-3-(4-propan-2-ylphenyl)triazol-4-amine?
5-(furan-2-yl)-3-(4-propan-2-ylphenyl)triazol-4-amine has a molecular weight of 268.32 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(4-propan-2-ylphenyl)triazol-4-amine is sourced from PubChem (CID 82370405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).