(Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-1-(2,4,5-trimethoxyphenyl)methanimine

C18H22N6O3 — CID 7027183

IUPAC(Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-1-(2,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(OC)c(OC)cc1/C=N\n1c(C)nnc1-n1nc(C)cc1C
InChIInChI=1S/C18H22N6O3/c1-11-7-12(2)23(22-11)18-21-20-13(3)24(18)19-10-14-8-16(26-5)17(27-6)9-15(14)25-4/h7-10H,1-6H3/b19-10-
InChIKeySMOCFVDKJTTYMM-GRSHGNNSSA-N
MW370.41 g/mol
LogP2.30
Rot. Bonds6

About (Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-1-(2,4,5-trimethoxyphenyl)methanimine

(Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-1-(2,4,5-trimethoxyphenyl)methanimine (PubChem CID 7027183) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is (Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-1-(2,4,5-trimethoxyphenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-1-(2,4,5-trimethoxyphenyl)methanimine
PubChem CID7027183
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name(Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-1-(2,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(OC)c(OC)cc1/C=N\n1c(C)nnc1-n1nc(C)cc1C
InChIInChI=1S/C18H22N6O3/c1-11-7-12(2)23(22-11)18-21-20-13(3)24(18)19-10-14-8-16(26-5)17(27-6)9-15(14)25-4/h7-10H,1-6H3/b19-10-
InChIKeySMOCFVDKJTTYMM-GRSHGNNSSA-N
XLogP2.30
TPSA88.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-1-(2,4,5-trimethoxyphenyl)methanimine?
The IUPAC name of (Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-1-(2,4,5-trimethoxyphenyl)methanimine (CID 7027183) is (Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-1-(2,4,5-trimethoxyphenyl)methanimine.
What is the SMILES notation for (Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-1-(2,4,5-trimethoxyphenyl)methanimine?
The canonical SMILES for (Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-1-(2,4,5-trimethoxyphenyl)methanimine is COc1cc(OC)c(OC)cc1/C=N\n1c(C)nnc1-n1nc(C)cc1C.
What is the InChIKey of (Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-1-(2,4,5-trimethoxyphenyl)methanimine?
The InChIKey is SMOCFVDKJTTYMM-GRSHGNNSSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-11-7-12(2)23(22-11)18-21-20-13(3)24(18)19-10-14-8-16(26-5)17(27-6)9-15(14)25-4/h7-10H,1-6H3/b19-10-.
What are the key properties of (Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-1-(2,4,5-trimethoxyphenyl)methanimine?
(Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-1-(2,4,5-trimethoxyphenyl)methanimine has a molecular weight of 370.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-1-(2,4,5-trimethoxyphenyl)methanimine is sourced from PubChem (CID 7027183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).