2-[[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile

C12H10N8 — CID 169337917

IUPAC2-[[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCc1cc(-n2cnnn2)cc(NN=C(C#N)C#N)c1C
InChIInChI=1S/C12H10N8/c1-8-3-11(20-7-15-18-19-20)4-12(9(8)2)17-16-10(5-13)6-14/h3-4,7,17H,1-2H3
InChIKeyITXSSQCIFBLVBA-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.09
Rot. Bonds3

About 2-[[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile

2-[[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169337917) has the molecular formula C12H10N8 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169337917
Molecular FormulaC12H10N8
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name2-[[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCc1cc(-n2cnnn2)cc(NN=C(C#N)C#N)c1C
InChIInChI=1S/C12H10N8/c1-8-3-11(20-7-15-18-19-20)4-12(9(8)2)17-16-10(5-13)6-14/h3-4,7,17H,1-2H3
InChIKeyITXSSQCIFBLVBA-UHFFFAOYSA-N
XLogP1.09
TPSA115.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2,3-dimethyl-5-(tetrazol-1-yl)anilino]methylidene]propanedinitrile
CID 168541668
2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169338208
2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340237
2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol
CID 65338078
3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol
CID 75426087
2-[5-methyl-2-(tetrazol-1-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168608461
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
5-hydroxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 79198857
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]urea
CID 118780012
(1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
CID 94001278
2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43700201
4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide
CID 48857945

Frequently Asked Questions

What is the IUPAC name of 2-[[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile (CID 169337917) is 2-[[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile is Cc1cc(-n2cnnn2)cc(NN=C(C#N)C#N)c1C.
What is the InChIKey of 2-[[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is ITXSSQCIFBLVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N8/c1-8-3-11(20-7-15-18-19-20)4-12(9(8)2)17-16-10(5-13)6-14/h3-4,7,17H,1-2H3.
What are the key properties of 2-[[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile?
2-[[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 266.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169337917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).