(Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine

C14H18N4O3 — CID 5402147

IUPAC(Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
SMILESCOc1ccc(/C=N\n2c(C)nnc2C)c(OC)c1OC
InChIInChI=1S/C14H18N4O3/c1-9-16-17-10(2)18(9)15-8-11-6-7-12(19-3)14(21-5)13(11)20-4/h6-8H,1-5H3/b15-8-
InChIKeySDLGOGDLXMMPSF-NVNXTCNLSA-N
MW290.32 g/mol
LogP1.80
Rot. Bonds5

About (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine

(Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine (PubChem CID 5402147) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
PubChem CID5402147
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name(Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
SMILESCOc1ccc(/C=N\n2c(C)nnc2C)c(OC)c1OC
InChIInChI=1S/C14H18N4O3/c1-9-16-17-10(2)18(9)15-8-11-6-7-12(19-3)14(21-5)13(11)20-4/h6-8H,1-5H3/b15-8-
InChIKeySDLGOGDLXMMPSF-NVNXTCNLSA-N
XLogP1.80
TPSA70.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(2-chloro-3,4-dimethoxyphenyl)-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)methanimine
CID 110521624
2-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-6-methoxyphenol
CID 135675794
6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024403
1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine
CID 71343645
3-(4-tert-butylphenyl)-4-[(2,3,4-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 1415337
3-[4-(dimethylamino)phenyl]-4-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 6879923
3-(2-fluorophenyl)-4-[(2,3,4-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 1051717
3-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6867165
(Z)-N-(4-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
CID 5344533
(Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,3,4-trimethoxyphenyl)methanimine
CID 6261646
2-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 9359802
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine
CID 4283687

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine?
The IUPAC name of (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine (CID 5402147) is (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine.
What is the SMILES notation for (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine?
The canonical SMILES for (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine is COc1ccc(/C=N\n2c(C)nnc2C)c(OC)c1OC.
What is the InChIKey of (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine?
The InChIKey is SDLGOGDLXMMPSF-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9-16-17-10(2)18(9)15-8-11-6-7-12(19-3)14(21-5)13(11)20-4/h6-8H,1-5H3/b15-8-.
What are the key properties of (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine?
(Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine has a molecular weight of 290.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine is sourced from PubChem (CID 5402147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).