1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine

C14H14N4O — CID 114687548

IUPAC1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
SMILESCNC(c1ccco1)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H14N4O/c1-15-14(13-8-5-9-19-13)12-10-16-17-18(12)11-6-3-2-4-7-11/h2-10,14-15H,1H3
InChIKeyUXSQCGAUXYOMHU-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.17
Rot. Bonds4

About 1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine

1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine (PubChem CID 114687548) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
PubChem CID114687548
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
SMILESCNC(c1ccco1)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H14N4O/c1-15-14(13-8-5-9-19-13)12-10-16-17-18(12)11-6-3-2-4-7-11/h2-10,14-15H,1H3
InChIKeyUXSQCGAUXYOMHU-UHFFFAOYSA-N
XLogP2.17
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine
CID 114687408
N-methyl-1-(6-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine
CID 114687713
N-methyl-1-(2-methylpyrimidin-4-yl)-1-(3-phenyltriazol-4-yl)methanamine
CID 114688914
1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
CID 114688838
2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 103517148
1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43485984
N-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 106858669
2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 105043304
1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine
CID 114688285
N-[(5-iodothiophen-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 105043247
N-[(5-bromofuran-2-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 105043281
[(2-methylpyrimidin-4-yl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105260678

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine?
The IUPAC name of 1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine (CID 114687548) is 1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine is CNC(c1ccco1)c1cnnn1-c1ccccc1.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine?
The InChIKey is UXSQCGAUXYOMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-15-14(13-8-5-9-19-13)12-10-16-17-18(12)11-6-3-2-4-7-11/h2-10,14-15H,1H3.
What are the key properties of 1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine?
1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine has a molecular weight of 254.29 g/mol, XLogP of 2.17, 4 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-methyl-1-(3-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 114687548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).