1-(1-methyltetrazol-5-yl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-N-(pyrimidin-2-ylmethoxy)methanimine

C16H14F3N7O — CID 150931639

IUPAC1-(1-methyltetrazol-5-yl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-N-(pyrimidin-2-ylmethoxy)methanimine
SMILESCc1ccc(C(=NOCc2ncccn2)c2nnnn2C)cc1C(F)(F)F
InChIInChI=1S/C16H14F3N7O/c1-10-4-5-11(8-12(10)16(17,18)19)14(15-22-24-25-26(15)2)23-27-9-13-20-6-3-7-21-13/h3-8H,9H2,1-2H3
InChIKeyLGDSOJIVLWFWEI-UHFFFAOYSA-N
MW377.33 g/mol
LogP2.30
Rot. Bonds5

About 1-(1-methyltetrazol-5-yl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-N-(pyrimidin-2-ylmethoxy)methanimine

1-(1-methyltetrazol-5-yl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-N-(pyrimidin-2-ylmethoxy)methanimine (PubChem CID 150931639) has the molecular formula C16H14F3N7O and a molecular weight of 377.33 g/mol. Its IUPAC name is 1-(1-methyltetrazol-5-yl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-N-(pyrimidin-2-ylmethoxy)methanimine.

Molecular Properties

Compound Name1-(1-methyltetrazol-5-yl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-N-(pyrimidin-2-ylmethoxy)methanimine
PubChem CID150931639
Molecular FormulaC16H14F3N7O
Molecular Weight377.33 g/mol
Exact Mass377.12
IUPAC Name1-(1-methyltetrazol-5-yl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-N-(pyrimidin-2-ylmethoxy)methanimine
SMILESCc1ccc(C(=NOCc2ncccn2)c2nnnn2C)cc1C(F)(F)F
InChIInChI=1S/C16H14F3N7O/c1-10-4-5-11(8-12(10)16(17,18)19)14(15-22-24-25-26(15)2)23-27-9-13-20-6-3-7-21-13/h3-8H,9H2,1-2H3
InChIKeyLGDSOJIVLWFWEI-UHFFFAOYSA-N
XLogP2.30
TPSA90.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-(1-methyltetrazol-5-yl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-N-(pyrimidin-2-ylmethoxy)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl-[2-[[[(1-methyltetrazol-5-yl)-[4-methyl-3-(trifluoromethyl)phenyl]methylidene]amino]oxymethyl]pyrimidin-4-yl]carbamic acid
CID 91022469
4-[[[(1-methyltetrazol-5-yl)-[4-methyl-3-(trifluoromethyl)phenyl]methylidene]amino]oxymethyl]-1,3-thiazol-2-amine
CID 86647359
(E)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methoxy-2-[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxyethanimine
CID 164577635
[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]methanamine
CID 86653133
4-[[(Z)-[(1-methyltetrazol-5-yl)-[3-(trifluoromethoxy)phenyl]methylidene]amino]oxymethyl]-1,3-thiazol-2-amine
CID 87259588
N-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine
CID 59582521
(Z)-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
CID 155293012
(Z)-N-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
CID 155293043
2-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione
CID 87259404
(E)-1-(3,5-dichlorophenyl)-N-methoxy-2-[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxyethanimine
CID 164577649
2-[6-[[[(3-methylsulfanylphenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione
CID 86653143
[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl] N-aminocarbamate
CID 150170848

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltetrazol-5-yl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-N-(pyrimidin-2-ylmethoxy)methanimine?
The IUPAC name of 1-(1-methyltetrazol-5-yl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-N-(pyrimidin-2-ylmethoxy)methanimine (CID 150931639) is 1-(1-methyltetrazol-5-yl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-N-(pyrimidin-2-ylmethoxy)methanimine.
What is the SMILES notation for 1-(1-methyltetrazol-5-yl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-N-(pyrimidin-2-ylmethoxy)methanimine?
The canonical SMILES for 1-(1-methyltetrazol-5-yl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-N-(pyrimidin-2-ylmethoxy)methanimine is Cc1ccc(C(=NOCc2ncccn2)c2nnnn2C)cc1C(F)(F)F.
What is the InChIKey of 1-(1-methyltetrazol-5-yl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-N-(pyrimidin-2-ylmethoxy)methanimine?
The InChIKey is LGDSOJIVLWFWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N7O/c1-10-4-5-11(8-12(10)16(17,18)19)14(15-22-24-25-26(15)2)23-27-9-13-20-6-3-7-21-13/h3-8H,9H2,1-2H3.
What are the key properties of 1-(1-methyltetrazol-5-yl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-N-(pyrimidin-2-ylmethoxy)methanimine?
1-(1-methyltetrazol-5-yl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-N-(pyrimidin-2-ylmethoxy)methanimine has a molecular weight of 377.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltetrazol-5-yl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-N-(pyrimidin-2-ylmethoxy)methanimine is sourced from PubChem (CID 150931639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).