(E,E)-3-(furan-2-yl)-2-methyl-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine

C10H10N4O — CID 6878580

IUPAC(E,E)-3-(furan-2-yl)-2-methyl-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine
SMILESCC(/C=N/n1cnnc1)=C\c1ccco1
InChIInChI=1S/C10H10N4O/c1-9(5-10-3-2-4-15-10)6-13-14-7-11-12-8-14/h2-8H,1H3/b9-5+,13-6+
InChIKeyURTKAHOGXVJFOY-PMHYKQBESA-N
MW202.22 g/mol
LogP1.81
Rot. Bonds3

About (E,E)-3-(furan-2-yl)-2-methyl-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine

(E,E)-3-(furan-2-yl)-2-methyl-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine (PubChem CID 6878580) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is (E,E)-3-(furan-2-yl)-2-methyl-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name(E,E)-3-(furan-2-yl)-2-methyl-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine
PubChem CID6878580
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name(E,E)-3-(furan-2-yl)-2-methyl-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine
SMILESCC(/C=N/n1cnnc1)=C\c1ccco1
InChIInChI=1S/C10H10N4O/c1-9(5-10-3-2-4-15-10)6-13-14-7-11-12-8-14/h2-8H,1H3/b9-5+,13-6+
InChIKeyURTKAHOGXVJFOY-PMHYKQBESA-N
XLogP1.81
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 5390372
4-[(E)-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 6859103
4-[(Z)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
CID 5390734
(E)-1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)ethanimine
CID 5410318
6-bromo-2-ethyl-3-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinazolin-4-one
CID 126298884
(2E,4E)-1-(1,3-dimethylpyrazol-4-yl)-5-(furan-2-yl)-4-methylpenta-2,4-dien-1-one
CID 19556586
(E,Z)-N-[(E)-furan-2-ylmethylideneamino]-2-methyl-3-phenylprop-2-en-1-imine
CID 54606331
(E)-1-(furan-2-yl)-N-trimethylsilylmethanimine
CID 10630921
N-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2,4-dinitroaniline
CID 129439911
N-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine
CID 129438396
(E)-4-(furan-2-yl)-3-methylbut-3-en-1-amine
CID 55254010
[(1Z,3E)-1-chloro-4-(furan-2-yl)-3-methylbuta-1,3-dienyl] acetate
CID 42612904

Frequently Asked Questions

What is the IUPAC name of (E,E)-3-(furan-2-yl)-2-methyl-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine?
The IUPAC name of (E,E)-3-(furan-2-yl)-2-methyl-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine (CID 6878580) is (E,E)-3-(furan-2-yl)-2-methyl-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine.
What is the SMILES notation for (E,E)-3-(furan-2-yl)-2-methyl-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine?
The canonical SMILES for (E,E)-3-(furan-2-yl)-2-methyl-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine is CC(/C=N/n1cnnc1)=C\c1ccco1.
What is the InChIKey of (E,E)-3-(furan-2-yl)-2-methyl-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine?
The InChIKey is URTKAHOGXVJFOY-PMHYKQBESA-N. The full InChI is InChI=1S/C10H10N4O/c1-9(5-10-3-2-4-15-10)6-13-14-7-11-12-8-14/h2-8H,1H3/b9-5+,13-6+.
What are the key properties of (E,E)-3-(furan-2-yl)-2-methyl-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine?
(E,E)-3-(furan-2-yl)-2-methyl-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine has a molecular weight of 202.22 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,E)-3-(furan-2-yl)-2-methyl-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine is sourced from PubChem (CID 6878580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).