2-[[2-methyl-5-(2-methyltetrazol-5-yl)anilino]methylidene]propanedinitrile

C13H11N7 — CID 168542259

IUPAC2-[[2-methyl-5-(2-methyltetrazol-5-yl)anilino]methylidene]propanedinitrile
SMILESCc1ccc(-c2nnn(C)n2)cc1NC=C(C#N)C#N
InChIInChI=1S/C13H11N7/c1-9-3-4-11(13-17-19-20(2)18-13)5-12(9)16-8-10(6-14)7-15/h3-5,8,16H,1-2H3
InChIKeyIUHLJJQBKPKGHF-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.53
Rot. Bonds3

About 2-[[2-methyl-5-(2-methyltetrazol-5-yl)anilino]methylidene]propanedinitrile

2-[[2-methyl-5-(2-methyltetrazol-5-yl)anilino]methylidene]propanedinitrile (PubChem CID 168542259) has the molecular formula C13H11N7 and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-[[2-methyl-5-(2-methyltetrazol-5-yl)anilino]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-methyl-5-(2-methyltetrazol-5-yl)anilino]methylidene]propanedinitrile
PubChem CID168542259
Molecular FormulaC13H11N7
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2-[[2-methyl-5-(2-methyltetrazol-5-yl)anilino]methylidene]propanedinitrile
SMILESCc1ccc(-c2nnn(C)n2)cc1NC=C(C#N)C#N
InChIInChI=1S/C13H11N7/c1-9-3-4-11(13-17-19-20(2)18-13)5-12(9)16-8-10(6-14)7-15/h3-5,8,16H,1-2H3
InChIKeyIUHLJJQBKPKGHF-UHFFFAOYSA-N
XLogP1.53
TPSA103.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[2-methyl-5-(2-methyltetrazol-5-yl)anilino]methylidene]propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-methyl-5-(1,2,4-triazol-4-yl)anilino]methylidene]propanedinitrile
CID 168542260
2-[(2-methyl-5-propan-2-ylanilino)methylidene]propanedinitrile
CID 168542165
2-[[2,3-dimethyl-5-(tetrazol-1-yl)anilino]methylidene]propanedinitrile
CID 168541668
2-[(2,4,5-trimethylanilino)methylidene]propanedinitrile
CID 168543102
3-[3-(2-methyltetrazol-5-yl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169343159
4-methyl-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 74243943
2-[(4-bromo-2-methylanilino)methylidene]propanedinitrile
CID 47121487
3-(2,2-dicyanoethenylamino)-4-methyl-N-propylbenzamide
CID 168541919
3-(2,2-dicyanoethenylamino)-N,N-diethyl-4-methylbenzenesulfonamide
CID 26485785
1-(2-hydroxyethyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 118792437
1-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 74234278
2-[[(1-methylbenzotriazol-4-yl)amino]methylidene]propanedinitrile
CID 168542535

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-5-(2-methyltetrazol-5-yl)anilino]methylidene]propanedinitrile?
The IUPAC name of 2-[[2-methyl-5-(2-methyltetrazol-5-yl)anilino]methylidene]propanedinitrile (CID 168542259) is 2-[[2-methyl-5-(2-methyltetrazol-5-yl)anilino]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-methyl-5-(2-methyltetrazol-5-yl)anilino]methylidene]propanedinitrile?
The canonical SMILES for 2-[[2-methyl-5-(2-methyltetrazol-5-yl)anilino]methylidene]propanedinitrile is Cc1ccc(-c2nnn(C)n2)cc1NC=C(C#N)C#N.
What is the InChIKey of 2-[[2-methyl-5-(2-methyltetrazol-5-yl)anilino]methylidene]propanedinitrile?
The InChIKey is IUHLJJQBKPKGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7/c1-9-3-4-11(13-17-19-20(2)18-13)5-12(9)16-8-10(6-14)7-15/h3-5,8,16H,1-2H3.
What are the key properties of 2-[[2-methyl-5-(2-methyltetrazol-5-yl)anilino]methylidene]propanedinitrile?
2-[[2-methyl-5-(2-methyltetrazol-5-yl)anilino]methylidene]propanedinitrile has a molecular weight of 265.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-5-(2-methyltetrazol-5-yl)anilino]methylidene]propanedinitrile is sourced from PubChem (CID 168542259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).