6-(2H-tetrazol-5-yl)-1,3-benzodioxol-5-amine

C8H7N5O2 — CID 28643013

IUPAC6-(2H-tetrazol-5-yl)-1,3-benzodioxol-5-amine
SMILESNc1cc2c(cc1-c1nn[nH]n1)OCO2
InChIInChI=1S/C8H7N5O2/c9-5-2-7-6(14-3-15-7)1-4(5)8-10-12-13-11-8/h1-2H,3,9H2,(H,10,11,12,13)
InChIKeyYRDGIBYWECXVCR-UHFFFAOYSA-N
MW205.18 g/mol
LogP0.18
Rot. Bonds1

About 6-(2H-tetrazol-5-yl)-1,3-benzodioxol-5-amine

6-(2H-tetrazol-5-yl)-1,3-benzodioxol-5-amine (PubChem CID 28643013) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is 6-(2H-tetrazol-5-yl)-1,3-benzodioxol-5-amine.

Molecular Properties

Compound Name6-(2H-tetrazol-5-yl)-1,3-benzodioxol-5-amine
PubChem CID28643013
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name6-(2H-tetrazol-5-yl)-1,3-benzodioxol-5-amine
SMILESNc1cc2c(cc1-c1nn[nH]n1)OCO2
InChIInChI=1S/C8H7N5O2/c9-5-2-7-6(14-3-15-7)1-4(5)8-10-12-13-11-8/h1-2H,3,9H2,(H,10,11,12,13)
InChIKeyYRDGIBYWECXVCR-UHFFFAOYSA-N
XLogP0.18
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 13267897
1,3-benzodioxole-5,6-diamine;dihydrate
CID 175096617
5-nitro-2-(2H-tetrazol-5-yl)aniline
CID 170915363
N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110743272
3,5-diamino-4-(2H-tetrazol-5-yl)benzoic acid
CID 121474244
2-(2H-tetrazol-5-yl)-4-thiophen-3-ylaniline
CID 23434204
N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 897407
5-methyl-3-(2H-tetrazol-5-yl)pyridin-2-amine
CID 14200810
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 17458460
N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 60911386
6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol
CID 136993722
5-(2,3-dihydro-1-benzofuran-6-yl)-2H-tetrazole
CID 58740446

Frequently Asked Questions

What is the IUPAC name of 6-(2H-tetrazol-5-yl)-1,3-benzodioxol-5-amine?
The IUPAC name of 6-(2H-tetrazol-5-yl)-1,3-benzodioxol-5-amine (CID 28643013) is 6-(2H-tetrazol-5-yl)-1,3-benzodioxol-5-amine.
What is the SMILES notation for 6-(2H-tetrazol-5-yl)-1,3-benzodioxol-5-amine?
The canonical SMILES for 6-(2H-tetrazol-5-yl)-1,3-benzodioxol-5-amine is Nc1cc2c(cc1-c1nn[nH]n1)OCO2.
What is the InChIKey of 6-(2H-tetrazol-5-yl)-1,3-benzodioxol-5-amine?
The InChIKey is YRDGIBYWECXVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c9-5-2-7-6(14-3-15-7)1-4(5)8-10-12-13-11-8/h1-2H,3,9H2,(H,10,11,12,13).
What are the key properties of 6-(2H-tetrazol-5-yl)-1,3-benzodioxol-5-amine?
6-(2H-tetrazol-5-yl)-1,3-benzodioxol-5-amine has a molecular weight of 205.18 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2H-tetrazol-5-yl)-1,3-benzodioxol-5-amine is sourced from PubChem (CID 28643013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).