1-[2,4-dichloro-5-(methoxymethoxy)phenyl]-4-ethyltetrazol-5-one

C11H12Cl2N4O3 — CID 19882823

IUPAC1-[2,4-dichloro-5-(methoxymethoxy)phenyl]-4-ethyltetrazol-5-one
SMILESCCn1nnn(-c2cc(OCOC)c(Cl)cc2Cl)c1=O
InChIInChI=1S/C11H12Cl2N4O3/c1-3-16-11(18)17(15-14-16)9-5-10(20-6-19-2)8(13)4-7(9)12/h4-5H,3,6H2,1-2H3
InChIKeyWHYGNYVFMRXNDJ-UHFFFAOYSA-N
MW319.15 g/mol
LogP1.74
Rot. Bonds5

About 1-[2,4-dichloro-5-(methoxymethoxy)phenyl]-4-ethyltetrazol-5-one

1-[2,4-dichloro-5-(methoxymethoxy)phenyl]-4-ethyltetrazol-5-one (PubChem CID 19882823) has the molecular formula C11H12Cl2N4O3 and a molecular weight of 319.15 g/mol. Its IUPAC name is 1-[2,4-dichloro-5-(methoxymethoxy)phenyl]-4-ethyltetrazol-5-one.

Molecular Properties

Compound Name1-[2,4-dichloro-5-(methoxymethoxy)phenyl]-4-ethyltetrazol-5-one
PubChem CID19882823
Molecular FormulaC11H12Cl2N4O3
Molecular Weight319.15 g/mol
Exact Mass318.03
IUPAC Name1-[2,4-dichloro-5-(methoxymethoxy)phenyl]-4-ethyltetrazol-5-one
SMILESCCn1nnn(-c2cc(OCOC)c(Cl)cc2Cl)c1=O
InChIInChI=1S/C11H12Cl2N4O3/c1-3-16-11(18)17(15-14-16)9-5-10(20-6-19-2)8(13)4-7(9)12/h4-5H,3,6H2,1-2H3
InChIKeyWHYGNYVFMRXNDJ-UHFFFAOYSA-N
XLogP1.74
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichloro-5-methoxyphenyl)-4-propyltetrazol-5-one
CID 3437914
1-(2,4-dichloro-5-methoxyphenyl)-4-prop-2-enyltetrazol-5-one
CID 14774807
1-(2,4-dichloro-5-methoxyphenyl)-4-(2-fluoroethyl)tetrazol-5-one
CID 14774813
1-(5-but-3-yn-2-yloxy-2,4-dichlorophenyl)-4-propyltetrazol-5-one
CID 171984894
1-(2-chloro-5-methoxy-4-phenylphenyl)-4-propyltetrazol-5-one
CID 14774825
2-[4-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-5-oxotetrazol-1-yl]acetonitrile
CID 171984873
3-chloro-2-[4-chloro-2-fluoro-5-(methoxymethoxy)phenyl]-4,5,6,7-tetrahydroindazole
CID 70461309
methyl 5-chloro-2,4-bis(methoxymethoxy)benzoate
CID 57440512
2-(2,4-dichloro-5-methoxyphenyl)-5-(trifluoromethyl)pyridazin-3-one
CID 18345652
2-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methyl-1,2,4-triazine-3,5-dione
CID 14276943
ethyl 2-[2,4-dichloro-5-[5-(4-methoxyphenyl)tetrazol-1-yl]phenoxy]acetate
CID 1479536
6-[[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 41402654

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dichloro-5-(methoxymethoxy)phenyl]-4-ethyltetrazol-5-one?
The IUPAC name of 1-[2,4-dichloro-5-(methoxymethoxy)phenyl]-4-ethyltetrazol-5-one (CID 19882823) is 1-[2,4-dichloro-5-(methoxymethoxy)phenyl]-4-ethyltetrazol-5-one.
What is the SMILES notation for 1-[2,4-dichloro-5-(methoxymethoxy)phenyl]-4-ethyltetrazol-5-one?
The canonical SMILES for 1-[2,4-dichloro-5-(methoxymethoxy)phenyl]-4-ethyltetrazol-5-one is CCn1nnn(-c2cc(OCOC)c(Cl)cc2Cl)c1=O.
What is the InChIKey of 1-[2,4-dichloro-5-(methoxymethoxy)phenyl]-4-ethyltetrazol-5-one?
The InChIKey is WHYGNYVFMRXNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O3/c1-3-16-11(18)17(15-14-16)9-5-10(20-6-19-2)8(13)4-7(9)12/h4-5H,3,6H2,1-2H3.
What are the key properties of 1-[2,4-dichloro-5-(methoxymethoxy)phenyl]-4-ethyltetrazol-5-one?
1-[2,4-dichloro-5-(methoxymethoxy)phenyl]-4-ethyltetrazol-5-one has a molecular weight of 319.15 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dichloro-5-(methoxymethoxy)phenyl]-4-ethyltetrazol-5-one is sourced from PubChem (CID 19882823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).