2-[1-(furan-2-yl)ethenyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine

C16H16N4O2 — CID 100966994

IUPAC2-[1-(furan-2-yl)ethenyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine
SMILESC=C(c1ccco1)n1nc(C)nc1Nc1ccc(OC)cc1
InChIInChI=1S/C16H16N4O2/c1-11(15-5-4-10-22-15)20-16(17-12(2)19-20)18-13-6-8-14(21-3)9-7-13/h4-10H,1H2,2-3H3,(H,17,18,19)
InChIKeyMKOCBRPRAGZBFJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.45
Rot. Bonds5

About 2-[1-(furan-2-yl)ethenyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine

2-[1-(furan-2-yl)ethenyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine (PubChem CID 100966994) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)ethenyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[1-(furan-2-yl)ethenyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine
PubChem CID100966994
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-[1-(furan-2-yl)ethenyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine
SMILESC=C(c1ccco1)n1nc(C)nc1Nc1ccc(OC)cc1
InChIInChI=1S/C16H16N4O2/c1-11(15-5-4-10-22-15)20-16(17-12(2)19-20)18-13-6-8-14(21-3)9-7-13/h4-10H,1H2,2-3H3,(H,17,18,19)
InChIKeyMKOCBRPRAGZBFJ-UHFFFAOYSA-N
XLogP3.45
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[cyclopropylidene(phenyl)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine
CID 10616575
N-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]furan-2-carboxamide
CID 46324048
6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112871420
N-(2,5-dimethyl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 86789673
[3-ethoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(furan-2-yl)methanone
CID 42726666
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502696
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722971
N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 91342021
furan-2-yl-[3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone
CID 5138150
9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3234137
furan-2-yl-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone
CID 42727133
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)ethenyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-[1-(furan-2-yl)ethenyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine (CID 100966994) is 2-[1-(furan-2-yl)ethenyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[1-(furan-2-yl)ethenyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[1-(furan-2-yl)ethenyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine is C=C(c1ccco1)n1nc(C)nc1Nc1ccc(OC)cc1.
What is the InChIKey of 2-[1-(furan-2-yl)ethenyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine?
The InChIKey is MKOCBRPRAGZBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11(15-5-4-10-22-15)20-16(17-12(2)19-20)18-13-6-8-14(21-3)9-7-13/h4-10H,1H2,2-3H3,(H,17,18,19).
What are the key properties of 2-[1-(furan-2-yl)ethenyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine?
2-[1-(furan-2-yl)ethenyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine has a molecular weight of 296.33 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)ethenyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 100966994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).