5-(1,3-benzodioxol-5-yl)-2-[(3,4-dichlorophenyl)methyl]tetrazole

C15H10Cl2N4O2 — CID 2901493

IUPAC5-(1,3-benzodioxol-5-yl)-2-[(3,4-dichlorophenyl)methyl]tetrazole
SMILESClc1ccc(Cn2nnc(-c3ccc4c(c3)OCO4)n2)cc1Cl
InChIInChI=1S/C15H10Cl2N4O2/c16-11-3-1-9(5-12(11)17)7-21-19-15(18-20-21)10-2-4-13-14(6-10)23-8-22-13/h1-6H,7-8H2
InChIKeyLNBRXFOANHATAA-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.42
Rot. Bonds3

About 5-(1,3-benzodioxol-5-yl)-2-[(3,4-dichlorophenyl)methyl]tetrazole

5-(1,3-benzodioxol-5-yl)-2-[(3,4-dichlorophenyl)methyl]tetrazole (PubChem CID 2901493) has the molecular formula C15H10Cl2N4O2 and a molecular weight of 349.18 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-2-[(3,4-dichlorophenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-2-[(3,4-dichlorophenyl)methyl]tetrazole
PubChem CID2901493
Molecular FormulaC15H10Cl2N4O2
Molecular Weight349.18 g/mol
Exact Mass348.02
IUPAC Name5-(1,3-benzodioxol-5-yl)-2-[(3,4-dichlorophenyl)methyl]tetrazole
SMILESClc1ccc(Cn2nnc(-c3ccc4c(c3)OCO4)n2)cc1Cl
InChIInChI=1S/C15H10Cl2N4O2/c16-11-3-1-9(5-12(11)17)7-21-19-15(18-20-21)10-2-4-13-14(6-10)23-8-22-13/h1-6H,7-8H2
InChIKeyLNBRXFOANHATAA-UHFFFAOYSA-N
XLogP3.42
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465665
3-(1,3-benzodioxol-5-yl)-1-[(3,4-dichlorophenyl)methyl]pyrazole
CID 1481709
2-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole
CID 903866
4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine
CID 649087
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2,6-dimethylphenyl)acetamide
CID 1086744
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 1080255
1-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dichlorophenyl)methyl]thiourea
CID 3851472
2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465674
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[5-(4-ethylphenyl)tetrazol-2-yl]acetamide
CID 9381448
2-[(3-chlorophenyl)methyl]-5-phenyltetrazole
CID 7278082
3-(1,3-benzodioxol-5-yl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19513484
(2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide
CID 1153714

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-2-[(3,4-dichlorophenyl)methyl]tetrazole?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-2-[(3,4-dichlorophenyl)methyl]tetrazole (CID 2901493) is 5-(1,3-benzodioxol-5-yl)-2-[(3,4-dichlorophenyl)methyl]tetrazole.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-2-[(3,4-dichlorophenyl)methyl]tetrazole?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-2-[(3,4-dichlorophenyl)methyl]tetrazole is Clc1ccc(Cn2nnc(-c3ccc4c(c3)OCO4)n2)cc1Cl.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-2-[(3,4-dichlorophenyl)methyl]tetrazole?
The InChIKey is LNBRXFOANHATAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O2/c16-11-3-1-9(5-12(11)17)7-21-19-15(18-20-21)10-2-4-13-14(6-10)23-8-22-13/h1-6H,7-8H2.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-2-[(3,4-dichlorophenyl)methyl]tetrazole?
5-(1,3-benzodioxol-5-yl)-2-[(3,4-dichlorophenyl)methyl]tetrazole has a molecular weight of 349.18 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-2-[(3,4-dichlorophenyl)methyl]tetrazole is sourced from PubChem (CID 2901493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).