4-nitrotetrazolo[1,5-a][1,7]naphthyridine

C8H4N6O2 — CID 57455385

IUPAC4-nitrotetrazolo[1,5-a][1,7]naphthyridine
SMILESO=[N+]([O-])c1cc2ccncc2n2nnnc12
InChIInChI=1S/C8H4N6O2/c15-14(16)6-3-5-1-2-9-4-7(5)13-8(6)10-11-12-13/h1-4H
InChIKeyQMTOJARFWRILNR-UHFFFAOYSA-N
MW216.16 g/mol
LogP0.58
Rot. Bonds1

About 4-nitrotetrazolo[1,5-a][1,7]naphthyridine

4-nitrotetrazolo[1,5-a][1,7]naphthyridine (PubChem CID 57455385) has the molecular formula C8H4N6O2 and a molecular weight of 216.16 g/mol. Its IUPAC name is 4-nitrotetrazolo[1,5-a][1,7]naphthyridine.

Molecular Properties

Compound Name4-nitrotetrazolo[1,5-a][1,7]naphthyridine
PubChem CID57455385
Molecular FormulaC8H4N6O2
Molecular Weight216.16 g/mol
Exact Mass216.04
IUPAC Name4-nitrotetrazolo[1,5-a][1,7]naphthyridine
SMILESO=[N+]([O-])c1cc2ccncc2n2nnnc12
InChIInChI=1S/C8H4N6O2/c15-14(16)6-3-5-1-2-9-4-7(5)13-8(6)10-11-12-13/h1-4H
InChIKeyQMTOJARFWRILNR-UHFFFAOYSA-N
XLogP0.58
TPSA99.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6,8-dinitro-5-(2,4,6-tripyrrolidin-1-ylphenyl)tetrazolo[1,5-a]pyridine
CID 101485459
1-oxidopyrrolo[2,3-c]pyridine
CID 87757695
1,2-dimethylpyrrolo[2,3-c]pyridine
CID 21364057
1-(3-fluoro-4-nitrophenyl)-5-methyltetrazole
CID 170646036
7-nitro-8-(trifluoromethyl)isoquinoline
CID 21393838
N,N-dimethyl-3-nitropyridin-4-amine
CID 3760629
4-tert-butyl-3-nitropyridine
CID 59463874
N-(4-nitro-3-pyridinyl)nitramide
CID 119087144
(3-nitro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 91664716
5-nitrobenzo[h]isoquinoline-8-carboxylate
CID 171664083
methoxymethane;4-methoxy-3-nitropyridine
CID 155689380
isoquinoline;nitrobenzene
CID 71001865

Frequently Asked Questions

What is the IUPAC name of 4-nitrotetrazolo[1,5-a][1,7]naphthyridine?
The IUPAC name of 4-nitrotetrazolo[1,5-a][1,7]naphthyridine (CID 57455385) is 4-nitrotetrazolo[1,5-a][1,7]naphthyridine.
What is the SMILES notation for 4-nitrotetrazolo[1,5-a][1,7]naphthyridine?
The canonical SMILES for 4-nitrotetrazolo[1,5-a][1,7]naphthyridine is O=[N+]([O-])c1cc2ccncc2n2nnnc12.
What is the InChIKey of 4-nitrotetrazolo[1,5-a][1,7]naphthyridine?
The InChIKey is QMTOJARFWRILNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N6O2/c15-14(16)6-3-5-1-2-9-4-7(5)13-8(6)10-11-12-13/h1-4H.
What are the key properties of 4-nitrotetrazolo[1,5-a][1,7]naphthyridine?
4-nitrotetrazolo[1,5-a][1,7]naphthyridine has a molecular weight of 216.16 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitrotetrazolo[1,5-a][1,7]naphthyridine is sourced from PubChem (CID 57455385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).