(5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine

C15H16N4O — CID 105043201

IUPAC(5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine
SMILESCCc1ccc(C(N)c2cnnn2-c2ccccc2)o1
InChIInChI=1S/C15H16N4O/c1-2-12-8-9-14(20-12)15(16)13-10-17-18-19(13)11-6-4-3-5-7-11/h3-10,15H,2,16H2,1H3
InChIKeyLHCHCWQTNQUQCR-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.47
Rot. Bonds4

About (5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine

(5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine (PubChem CID 105043201) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine
PubChem CID105043201
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name(5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine
SMILESCCc1ccc(C(N)c2cnnn2-c2ccccc2)o1
InChIInChI=1S/C15H16N4O/c1-2-12-8-9-14(20-12)15(16)13-10-17-18-19(13)11-6-4-3-5-7-11/h3-10,15H,2,16H2,1H3
InChIKeyLHCHCWQTNQUQCR-UHFFFAOYSA-N
XLogP2.47
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 114686892
(5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 114688939
(2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 105043267
(2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine
CID 107005033
(5-methylpyrazin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 105184416
(5-ethylfuran-2-yl)-isoquinolin-4-ylmethanamine
CID 115856186
(3-bromo-2-methylphenyl)-(3-phenyltriazol-4-yl)methanamine
CID 105043263
N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114688705
(5-ethylfuran-2-yl)-naphthalen-1-ylmethanamine
CID 62345330
N-[(5-bromofuran-2-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 105043281
(1-ethoxycyclopentyl)-(3-phenyltriazol-4-yl)methanamine
CID 114689286
1-(3-phenyltriazol-4-yl)butylhydrazine
CID 105202328

Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine?
The IUPAC name of (5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine (CID 105043201) is (5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for (5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine?
The canonical SMILES for (5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine is CCc1ccc(C(N)c2cnnn2-c2ccccc2)o1.
What is the InChIKey of (5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine?
The InChIKey is LHCHCWQTNQUQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-12-8-9-14(20-12)15(16)13-10-17-18-19(13)11-6-4-3-5-7-11/h3-10,15H,2,16H2,1H3.
What are the key properties of (5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine?
(5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine has a molecular weight of 268.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 105043201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).