N-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide

C10H9N5O3 — CID 959481

IUPACN-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
SMILESCn1nnc(NC(=O)c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C10H9N5O3/c1-15-13-10(12-14-15)11-9(16)6-2-3-7-8(4-6)18-5-17-7/h2-4H,5H2,1H3,(H,11,13,16)
InChIKeyLEHZURYTIHESDT-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.19
Rot. Bonds2

About N-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide

N-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 959481) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is N-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID959481
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC NameN-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
SMILESCn1nnc(NC(=O)c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C10H9N5O3/c1-15-13-10(12-14-15)11-9(16)6-2-3-7-8(4-6)18-5-17-7/h2-4H,5H2,1H3,(H,11,13,16)
InChIKeyLEHZURYTIHESDT-UHFFFAOYSA-N
XLogP0.19
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 897407
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 58409633
4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide
CID 645076
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 104592677
N-(4-cyano-1-methylpyrazol-3-yl)-1,3-benzodioxole-5-carboxamide
CID 104593117
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 847128
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-benzodioxole-5-carboxamide
CID 43399101
N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110866965
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123
N-(5-carbamoyl-2-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 23992808
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113050244
N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 669665

Frequently Asked Questions

What is the IUPAC name of N-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide (CID 959481) is N-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide is Cn1nnc(NC(=O)c2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is LEHZURYTIHESDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c1-15-13-10(12-14-15)11-9(16)6-2-3-7-8(4-6)18-5-17-7/h2-4H,5H2,1H3,(H,11,13,16).
What are the key properties of N-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide?
N-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 247.21 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 959481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).