N-[1-(furan-2-yl)propan-2-yl]-2-(1,2,4-triazol-1-yl)aniline

C15H16N4O — CID 63084439

IUPACN-[1-(furan-2-yl)propan-2-yl]-2-(1,2,4-triazol-1-yl)aniline
SMILESCC(Cc1ccco1)Nc1ccccc1-n1cncn1
InChIInChI=1S/C15H16N4O/c1-12(9-13-5-4-8-20-13)18-14-6-2-3-7-15(14)19-11-16-10-17-19/h2-8,10-12,18H,9H2,1H3
InChIKeyIFBDVRIFSXBKHX-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.90
Rot. Bonds5

About N-[1-(furan-2-yl)propan-2-yl]-2-(1,2,4-triazol-1-yl)aniline

N-[1-(furan-2-yl)propan-2-yl]-2-(1,2,4-triazol-1-yl)aniline (PubChem CID 63084439) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-2-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-2-(1,2,4-triazol-1-yl)aniline
PubChem CID63084439
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-2-(1,2,4-triazol-1-yl)aniline
SMILESCC(Cc1ccco1)Nc1ccccc1-n1cncn1
InChIInChI=1S/C15H16N4O/c1-12(9-13-5-4-8-20-13)18-14-6-2-3-7-15(14)19-11-16-10-17-19/h2-8,10-12,18H,9H2,1H3
InChIKeyIFBDVRIFSXBKHX-UHFFFAOYSA-N
XLogP2.90
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167524
N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline
CID 63086307
N-[2-[1-(furan-2-yl)propan-2-ylamino]phenyl]methanesulfonamide
CID 63085132
4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine
CID 61469609
N-[1-(furan-2-yl)propan-2-yl]-2-prop-2-enylsulfanylaniline
CID 63086016
N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
CID 63085318
N-[1-(furan-2-yl)propan-2-yl]-1H-indazol-4-amine
CID 63086017
N-[1-(5-methylthiophen-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43711623
N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43426538
N-[1-(1,3-thiazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
CID 64993427
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-2-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-2-(1,2,4-triazol-1-yl)aniline (CID 63084439) is N-[1-(furan-2-yl)propan-2-yl]-2-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-2-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-2-(1,2,4-triazol-1-yl)aniline is CC(Cc1ccco1)Nc1ccccc1-n1cncn1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-2-(1,2,4-triazol-1-yl)aniline?
The InChIKey is IFBDVRIFSXBKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-12(9-13-5-4-8-20-13)18-14-6-2-3-7-15(14)19-11-16-10-17-19/h2-8,10-12,18H,9H2,1H3.
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-2-(1,2,4-triazol-1-yl)aniline?
N-[1-(furan-2-yl)propan-2-yl]-2-(1,2,4-triazol-1-yl)aniline has a molecular weight of 268.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-2-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 63084439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).