N-[(5-methylfuran-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline

C15H16N4O — CID 43738645

IUPACN-[(5-methylfuran-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCc1ccc(CNc2cccc(-c3nncn3C)c2)o1
InChIInChI=1S/C15H16N4O/c1-11-6-7-14(20-11)9-16-13-5-3-4-12(8-13)15-18-17-10-19(15)2/h3-8,10,16H,9H2,1-2H3
InChIKeyGKQIVYLOPLHYMU-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.00
Rot. Bonds4

About N-[(5-methylfuran-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline

N-[(5-methylfuran-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 43738645) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
PubChem CID43738645
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCc1ccc(CNc2cccc(-c3nncn3C)c2)o1
InChIInChI=1S/C15H16N4O/c1-11-6-7-14(20-11)9-16-13-5-3-4-12(8-13)15-18-17-10-19(15)2/h3-8,10,16H,9H2,1-2H3
InChIKeyGKQIVYLOPLHYMU-UHFFFAOYSA-N
XLogP3.00
TPSA55.88 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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 61326180
N-tert-butyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 58709894
3-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657022
3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline
CID 62761649
3-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61171409
N-[(2-methylpyrimidin-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 62748416
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 60983287
N-[(5-bromofuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43686632
N-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 106936294
3-(4-methyl-1,2,4-triazol-3-yl)-N-(piperidin-3-ylmethyl)aniline
CID 80554256
3-N-[(5-methylfuran-2-yl)methyl]benzene-1,3-diamine
CID 62525026
N-[(3-tert-butyl-1-phenylpyrazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 99703008

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline (CID 43738645) is N-[(5-methylfuran-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline is Cc1ccc(CNc2cccc(-c3nncn3C)c2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is GKQIVYLOPLHYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11-6-7-14(20-11)9-16-13-5-3-4-12(8-13)15-18-17-10-19(15)2/h3-8,10,16H,9H2,1-2H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
N-[(5-methylfuran-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 268.32 g/mol, XLogP of 3.00, 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]-3-(4-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 43738645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).