1-methyl-4-[3-methyl-2-[[6-(1H-pyrazol-1-ium-5-yl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one

C18H18N7O2+ — CID 144738920

IUPAC1-methyl-4-[3-methyl-2-[[6-(1H-pyrazol-1-ium-5-yl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one
SMILESCc1cccc(-n2nnn(C)c2=O)c1COc1cccc(C2=CC=N[NH2+]2)n1
InChIInChI=1S/C18H17N7O2/c1-12-5-3-7-16(25-18(26)24(2)22-23-25)13(12)11-27-17-8-4-6-14(20-17)15-9-10-19-21-15/h3-10H,11H2,1-2H3,(H,19,21)/p+1
InChIKeyOPSXOJSGZWPKQD-UHFFFAOYSA-O
MW364.39 g/mol
LogP0.15
Rot. Bonds5

About 1-methyl-4-[3-methyl-2-[[6-(1H-pyrazol-1-ium-5-yl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one

1-methyl-4-[3-methyl-2-[[6-(1H-pyrazol-1-ium-5-yl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one (PubChem CID 144738920) has the molecular formula C18H18N7O2+ and a molecular weight of 364.39 g/mol. Its IUPAC name is 1-methyl-4-[3-methyl-2-[[6-(1H-pyrazol-1-ium-5-yl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one.

Molecular Properties

Compound Name1-methyl-4-[3-methyl-2-[[6-(1H-pyrazol-1-ium-5-yl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one
PubChem CID144738920
Molecular FormulaC18H18N7O2+
Molecular Weight364.39 g/mol
Exact Mass364.15
IUPAC Name1-methyl-4-[3-methyl-2-[[6-(1H-pyrazol-1-ium-5-yl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one
SMILESCc1cccc(-n2nnn(C)c2=O)c1COc1cccc(C2=CC=N[NH2+]2)n1
InChIInChI=1S/C18H17N7O2/c1-12-5-3-7-16(25-18(26)24(2)22-23-25)13(12)11-27-17-8-4-6-14(20-17)15-9-10-19-21-15/h3-10H,11H2,1-2H3,(H,19,21)/p+1
InChIKeyOPSXOJSGZWPKQD-UHFFFAOYSA-O
XLogP0.15
TPSA103.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[3-methyl-2-[[6-(1H-pyrazol-1-ium-5-yl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one 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

1-methyl-4-[3-methyl-2-[[6-(4-methylphenyl)pyrazin-2-yl]oxymethyl]phenyl]tetrazol-5-one
CID 118965490
1-[2-[[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 121387065
1-[3-methoxy-2-[[6-(4-methoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]-4-methyltetrazol-5-one
CID 118966113
1-methyl-4-[3-methyl-2-[[2-methyl-4-(1-methylpyrazol-3-yl)phenoxy]methyl]phenyl]tetrazol-5-one
CID 118236445
1-[2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 121374924
1-[2-[[4-(6-methoxypyridazin-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 90468032
1-[2-[[3-(4-methoxyphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 118965502
1-methyl-4-[3-methyl-2-[(2-methyl-4-naphthalen-2-ylphenoxy)methyl]phenyl]tetrazol-5-one
CID 121382546
1-[2-[[1-(4-methoxyphenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 71769204
1-methyl-4-[3-methyl-2-[(2,3,5,6-tetrafluoro-4-phenylphenoxy)methyl]phenyl]tetrazol-5-one
CID 121381109
1-[2-[(4-benzyl-2-methylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 121382578
1-methyl-4-[3-methyl-2-[[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]methyl]phenyl]tetrazol-5-one
CID 121382569

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-methyl-2-[[6-(1H-pyrazol-1-ium-5-yl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one?
The IUPAC name of 1-methyl-4-[3-methyl-2-[[6-(1H-pyrazol-1-ium-5-yl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one (CID 144738920) is 1-methyl-4-[3-methyl-2-[[6-(1H-pyrazol-1-ium-5-yl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one.
What is the SMILES notation for 1-methyl-4-[3-methyl-2-[[6-(1H-pyrazol-1-ium-5-yl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one?
The canonical SMILES for 1-methyl-4-[3-methyl-2-[[6-(1H-pyrazol-1-ium-5-yl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one is Cc1cccc(-n2nnn(C)c2=O)c1COc1cccc(C2=CC=N[NH2+]2)n1.
What is the InChIKey of 1-methyl-4-[3-methyl-2-[[6-(1H-pyrazol-1-ium-5-yl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one?
The InChIKey is OPSXOJSGZWPKQD-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H17N7O2/c1-12-5-3-7-16(25-18(26)24(2)22-23-25)13(12)11-27-17-8-4-6-14(20-17)15-9-10-19-21-15/h3-10H,11H2,1-2H3,(H,19,21)/p+1.
What are the key properties of 1-methyl-4-[3-methyl-2-[[6-(1H-pyrazol-1-ium-5-yl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one?
1-methyl-4-[3-methyl-2-[[6-(1H-pyrazol-1-ium-5-yl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one has a molecular weight of 364.39 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-methyl-2-[[6-(1H-pyrazol-1-ium-5-yl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one is sourced from PubChem (CID 144738920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).