N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide

C11H11N5O3 — CID 110866965

IUPACN-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCn1nnnc1CNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H11N5O3/c1-16-10(13-14-15-16)5-12-11(17)7-2-3-8-9(4-7)19-6-18-8/h2-4H,5-6H2,1H3,(H,12,17)
InChIKeyPDMRFGLKNWUVTQ-UHFFFAOYSA-N
MW261.24 g/mol
LogP-0.13
Rot. Bonds3

About N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide

N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 110866965) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID110866965
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC NameN-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCn1nnnc1CNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H11N5O3/c1-16-10(13-14-15-16)5-12-11(17)7-2-3-8-9(4-7)19-6-18-8/h2-4H,5-6H2,1H3,(H,12,17)
InChIKeyPDMRFGLKNWUVTQ-UHFFFAOYSA-N
XLogP-0.13
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide 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

N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 18565618
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 19294800
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110642046
N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 91819404
N-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 91893445
N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 107231683
N-[[5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 1021814
N-(2-hydroxy-4-methylpentyl)-1,3-benzodioxole-5-carboxamide
CID 103771408
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110794338
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110660300
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 47044607
N-[[4-(aminomethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 60918410

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide (CID 110866965) is N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide is Cn1nnnc1CNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is PDMRFGLKNWUVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-16-10(13-14-15-16)5-12-11(17)7-2-3-8-9(4-7)19-6-18-8/h2-4H,5-6H2,1H3,(H,12,17).
What are the key properties of N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide?
N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 261.24 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110866965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).