1-(furan-2-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine

C14H14N4O — CID 28774513

IUPAC1-(furan-2-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
SMILESc1ccc(-n2ncc(CNCc3ccco3)n2)cc1
InChIInChI=1S/C14H14N4O/c1-2-5-13(6-3-1)18-16-10-12(17-18)9-15-11-14-7-4-8-19-14/h1-8,10,15H,9,11H2
InChIKeyGMRPWBOEEIVSAZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.15
Rot. Bonds5

About 1-(furan-2-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine

1-(furan-2-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine (PubChem CID 28774513) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
PubChem CID28774513
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name1-(furan-2-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
SMILESc1ccc(-n2ncc(CNCc3ccco3)n2)cc1
InChIInChI=1S/C14H14N4O/c1-2-5-13(6-3-1)18-16-10-12(17-18)9-15-11-14-7-4-8-19-14/h1-8,10,15H,9,11H2
InChIKeyGMRPWBOEEIVSAZ-UHFFFAOYSA-N
XLogP2.15
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(furan-2-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine (CID 28774513) is 1-(furan-2-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine is c1ccc(-n2ncc(CNCc3ccco3)n2)cc1.
What is the InChIKey of 1-(furan-2-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The InChIKey is GMRPWBOEEIVSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-5-13(6-3-1)18-16-10-12(17-18)9-15-11-14-7-4-8-19-14/h1-8,10,15H,9,11H2.
What are the key properties of 1-(furan-2-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
1-(furan-2-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine has a molecular weight of 254.29 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 28774513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).