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

C9H7N5O3 — CID 897407

IUPACN-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1ccc2c(c1)OCO2
InChIInChI=1S/C9H7N5O3/c15-8(10-9-11-13-14-12-9)5-1-2-6-7(3-5)17-4-16-6/h1-3H,4H2,(H2,10,11,12,13,14,15)
InChIKeyZMMALQWKMFTOJV-UHFFFAOYSA-N
MW233.19 g/mol
LogP0.18
Rot. Bonds2

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

N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 897407) has the molecular formula C9H7N5O3 and a molecular weight of 233.19 g/mol. Its IUPAC name is N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID897407
Molecular FormulaC9H7N5O3
Molecular Weight233.19 g/mol
Exact Mass233.05
IUPAC NameN-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1ccc2c(c1)OCO2
InChIInChI=1S/C9H7N5O3/c15-8(10-9-11-13-14-12-9)5-1-2-6-7(3-5)17-4-16-6/h1-3H,4H2,(H2,10,11,12,13,14,15)
InChIKeyZMMALQWKMFTOJV-UHFFFAOYSA-N
XLogP0.18
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110743272
5-(1,3-benzodioxol-5-yl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 139676224
6-amino-N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 13267897
N-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 959481
N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 60911386
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-benzodioxole-5-carboxamide
CID 43399101
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 847128
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113050244
N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide
CID 35532209
4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide
CID 5192520
N-[4-(4-fluoroanilino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112986861
4-[[[2-(1,3-benzodioxol-5-yl)acetyl]-(4-cyclohexyl-3-methylcyclohexa-1,5-dien-1-yl)amino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 142027177

Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide (CID 897407) is N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1nn[nH]n1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is ZMMALQWKMFTOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O3/c15-8(10-9-11-13-14-12-9)5-1-2-6-7(3-5)17-4-16-6/h1-3H,4H2,(H2,10,11,12,13,14,15).
What are the key properties of N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide?
N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 233.19 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 897407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).