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

C17H18N5O2- — CID 135789056

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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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).

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