[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2H-tetrazol-5-yl)azanide

C17H18N5O2- — CID 135789056

IUPAC[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2H-tetrazol-5-yl)azanide
SMILESCOc1cc(C[N-]c2nn[nH]n2)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C17H18N5O2/c1-12-3-5-13(6-4-12)11-24-15-8-7-14(9-16(15)23-2)10-18-17-19-21-22-20-17/h3-9H,10-11H2,1-2H3,(H-,18,19,20,21,22)/q-1
InChIKeyWLQNVSCSEQFECX-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.30
Rot. Bonds7

About [3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2H-tetrazol-5-yl)azanide

[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2H-tetrazol-5-yl)azanide (PubChem CID 135789056) has the molecular formula C17H18N5O2- and a molecular weight of 324.36 g/mol. Its IUPAC name is [3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2H-tetrazol-5-yl)azanide.

Molecular Properties

Compound Name[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2H-tetrazol-5-yl)azanide
PubChem CID135789056
Molecular FormulaC17H18N5O2-
Molecular Weight324.36 g/mol
Exact Mass324.15
IUPAC Name[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2H-tetrazol-5-yl)azanide
SMILESCOc1cc(C[N-]c2nn[nH]n2)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C17H18N5O2/c1-12-3-5-13(6-4-12)11-24-15-8-7-14(9-16(15)23-2)10-18-17-19-21-22-20-17/h3-9H,10-11H2,1-2H3,(H-,18,19,20,21,22)/q-1
InChIKeyWLQNVSCSEQFECX-UHFFFAOYSA-N
XLogP3.30
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2H-tetrazol-5-yl)azanide 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

(4-methylphenyl)methyl-(2H-tetrazol-5-yl)azanide
CID 135714570
2-methoxy-4-[2-(4-methoxyphenyl)ethyl]-1-[(4-methylphenyl)methoxy]benzene
CID 157158831
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 4719742
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 17156148
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4725302
3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
CID 82186047
5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681821
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 110538768
5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole
CID 684046
1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one
CID 83950881
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole
CID 110534214

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2H-tetrazol-5-yl)azanide?
The IUPAC name of [3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2H-tetrazol-5-yl)azanide (CID 135789056) is [3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2H-tetrazol-5-yl)azanide.
What is the SMILES notation for [3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2H-tetrazol-5-yl)azanide?
The canonical SMILES for [3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2H-tetrazol-5-yl)azanide is COc1cc(C[N-]c2nn[nH]n2)ccc1OCc1ccc(C)cc1.
What is the InChIKey of [3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2H-tetrazol-5-yl)azanide?
The InChIKey is WLQNVSCSEQFECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N5O2/c1-12-3-5-13(6-4-12)11-24-15-8-7-14(9-16(15)23-2)10-18-17-19-21-22-20-17/h3-9H,10-11H2,1-2H3,(H-,18,19,20,21,22)/q-1.
What are the key properties of [3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2H-tetrazol-5-yl)azanide?
[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2H-tetrazol-5-yl)azanide has a molecular weight of 324.36 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2H-tetrazol-5-yl)azanide is sourced from PubChem (CID 135789056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).