N-[(5-methylfuran-2-yl)methyl]-2-(triazol-1-yl)aniline

C14H14N4O — CID 43676111

IUPACN-[(5-methylfuran-2-yl)methyl]-2-(triazol-1-yl)aniline
SMILESCc1ccc(CNc2ccccc2-n2ccnn2)o1
InChIInChI=1S/C14H14N4O/c1-11-6-7-12(19-11)10-15-13-4-2-3-5-14(13)18-9-8-16-17-18/h2-9,15H,10H2,1H3
InChIKeyWVRHYBLOLJJXMM-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.78
Rot. Bonds4

About N-[(5-methylfuran-2-yl)methyl]-2-(triazol-1-yl)aniline

N-[(5-methylfuran-2-yl)methyl]-2-(triazol-1-yl)aniline (PubChem CID 43676111) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-2-(triazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-2-(triazol-1-yl)aniline
PubChem CID43676111
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-2-(triazol-1-yl)aniline
SMILESCc1ccc(CNc2ccccc2-n2ccnn2)o1
InChIInChI=1S/C14H14N4O/c1-11-6-7-12(19-11)10-15-13-4-2-3-5-14(13)18-9-8-16-17-18/h2-9,15H,10H2,1H3
InChIKeyWVRHYBLOLJJXMM-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-(triazol-1-yl)aniline?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-(triazol-1-yl)aniline (CID 43676111) is N-[(5-methylfuran-2-yl)methyl]-2-(triazol-1-yl)aniline.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-2-(triazol-1-yl)aniline?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-2-(triazol-1-yl)aniline is Cc1ccc(CNc2ccccc2-n2ccnn2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-2-(triazol-1-yl)aniline?
The InChIKey is WVRHYBLOLJJXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-11-6-7-12(19-11)10-15-13-4-2-3-5-14(13)18-9-8-16-17-18/h2-9,15H,10H2,1H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-2-(triazol-1-yl)aniline?
N-[(5-methylfuran-2-yl)methyl]-2-(triazol-1-yl)aniline has a molecular weight of 254.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-2-(triazol-1-yl)aniline is sourced from PubChem (CID 43676111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).