1-N,3-N-bis(2H-tetrazol-5-yl)isoindole-1,3-diimine

C10H7N11 — CID 135820736

IUPAC1-N,3-N-bis(2H-tetrazol-5-yl)isoindole-1,3-diimine
SMILESc1ccc2c(c1)C(=Nc1nn[nH]n1)N/C2=N\c1nn[nH]n1
InChIInChI=1S/C10H7N11/c1-2-4-6-5(3-1)7(12-9-14-18-19-15-9)11-8(6)13-10-16-20-21-17-10/h1-4H,(H3,11,12,13,14,15,16,17,18,19,20,21)
InChIKeyFHRKCFFGACAKMI-UHFFFAOYSA-N
MW281.24 g/mol
LogP-0.53
Rot. Bonds2

About 1-N,3-N-bis(2H-tetrazol-5-yl)isoindole-1,3-diimine

1-N,3-N-bis(2H-tetrazol-5-yl)isoindole-1,3-diimine (PubChem CID 135820736) has the molecular formula C10H7N11 and a molecular weight of 281.24 g/mol. Its IUPAC name is 1-N,3-N-bis(2H-tetrazol-5-yl)isoindole-1,3-diimine.

Molecular Properties

Compound Name1-N,3-N-bis(2H-tetrazol-5-yl)isoindole-1,3-diimine
PubChem CID135820736
Molecular FormulaC10H7N11
Molecular Weight281.24 g/mol
Exact Mass281.09
IUPAC Name1-N,3-N-bis(2H-tetrazol-5-yl)isoindole-1,3-diimine
SMILESc1ccc2c(c1)C(=Nc1nn[nH]n1)N/C2=N\c1nn[nH]n1
InChIInChI=1S/C10H7N11/c1-2-4-6-5(3-1)7(12-9-14-18-19-15-9)11-8(6)13-10-16-20-21-17-10/h1-4H,(H3,11,12,13,14,15,16,17,18,19,20,21)
InChIKeyFHRKCFFGACAKMI-UHFFFAOYSA-N
XLogP-0.53
TPSA145.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2H-tetrazol-5-ylimino)indene-1,3-dione
CID 5338641
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CID 5001092
N-methyl-N-(2H-tetrazol-5-yldiazenyl)aniline
CID 137190281
1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol
CID 136695197
3,3-diphenyl-N-(2H-tetrazol-5-yl)propanimidate
CID 2166727
ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889
1-N,4-N-bis(2H-tetrazol-5-yl)benzene-1,4-dicarboximidate
CID 2245163
anthracen-9-ylmethyl(2H-tetrazol-5-yl)diazene
CID 136600638
bis(2H-tetrazol-5-yl)diazene;guanidine
CID 173025906
3-[2-[(3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one
CID 135996475
2-methylpropyl-oxo-phenyl-(2H-tetrazol-5-ylimino)-λ6-sulfane
CID 102322315
N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline
CID 125465363

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2H-tetrazol-5-yl)isoindole-1,3-diimine?
The IUPAC name of 1-N,3-N-bis(2H-tetrazol-5-yl)isoindole-1,3-diimine (CID 135820736) is 1-N,3-N-bis(2H-tetrazol-5-yl)isoindole-1,3-diimine.
What is the SMILES notation for 1-N,3-N-bis(2H-tetrazol-5-yl)isoindole-1,3-diimine?
The canonical SMILES for 1-N,3-N-bis(2H-tetrazol-5-yl)isoindole-1,3-diimine is c1ccc2c(c1)C(=Nc1nn[nH]n1)N/C2=N\c1nn[nH]n1.
What is the InChIKey of 1-N,3-N-bis(2H-tetrazol-5-yl)isoindole-1,3-diimine?
The InChIKey is FHRKCFFGACAKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N11/c1-2-4-6-5(3-1)7(12-9-14-18-19-15-9)11-8(6)13-10-16-20-21-17-10/h1-4H,(H3,11,12,13,14,15,16,17,18,19,20,21).
What are the key properties of 1-N,3-N-bis(2H-tetrazol-5-yl)isoindole-1,3-diimine?
1-N,3-N-bis(2H-tetrazol-5-yl)isoindole-1,3-diimine has a molecular weight of 281.24 g/mol, XLogP of -0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(2H-tetrazol-5-yl)isoindole-1,3-diimine is sourced from PubChem (CID 135820736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).