2-(1H-indazol-6-ylmethylimino)propanedinitrile

C11H7N5 — CID 167664068

IUPAC2-(1H-indazol-6-ylmethylimino)propanedinitrile
SMILESN#CC(C#N)=NCc1ccc2cn[nH]c2c1
InChIInChI=1S/C11H7N5/c12-4-10(5-13)14-6-8-1-2-9-7-15-16-11(9)3-8/h1-3,7H,6H2,(H,15,16)
InChIKeySJKYXKKEUJRNHE-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.55
Rot. Bonds2

About 2-(1H-indazol-6-ylmethylimino)propanedinitrile

2-(1H-indazol-6-ylmethylimino)propanedinitrile (PubChem CID 167664068) has the molecular formula C11H7N5 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-(1H-indazol-6-ylmethylimino)propanedinitrile.

Molecular Properties

Compound Name2-(1H-indazol-6-ylmethylimino)propanedinitrile
PubChem CID167664068
Molecular FormulaC11H7N5
Molecular Weight209.21 g/mol
Exact Mass209.07
IUPAC Name2-(1H-indazol-6-ylmethylimino)propanedinitrile
SMILESN#CC(C#N)=NCc1ccc2cn[nH]c2c1
InChIInChI=1S/C11H7N5/c12-4-10(5-13)14-6-8-1-2-9-7-15-16-11(9)3-8/h1-3,7H,6H2,(H,15,16)
InChIKeySJKYXKKEUJRNHE-UHFFFAOYSA-N
XLogP1.55
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(1H-indazol-6-ylmethyl)ethanimidamide
CID 18356580
2-[(2-oxo-3H-1,3-benzothiazol-6-yl)methylimino]propanedinitrile
CID 167690608
2-(1,3-benzothiazol-5-ylmethylimino)propanedinitrile
CID 167561437
(2S)-2-amino-3-(1H-indazol-6-yl)propanoic acid
CID 96765286
1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol
CID 115621594
(2R)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884297
(2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884153
4-(1H-indazol-6-yl)but-3-enenitrile
CID 170799818
6-(pyridin-3-ylmethyl)-1H-indazole
CID 174925312
N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide
CID 110470760
N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine
CID 115606919
N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride
CID 115606796

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-6-ylmethylimino)propanedinitrile?
The IUPAC name of 2-(1H-indazol-6-ylmethylimino)propanedinitrile (CID 167664068) is 2-(1H-indazol-6-ylmethylimino)propanedinitrile.
What is the SMILES notation for 2-(1H-indazol-6-ylmethylimino)propanedinitrile?
The canonical SMILES for 2-(1H-indazol-6-ylmethylimino)propanedinitrile is N#CC(C#N)=NCc1ccc2cn[nH]c2c1.
What is the InChIKey of 2-(1H-indazol-6-ylmethylimino)propanedinitrile?
The InChIKey is SJKYXKKEUJRNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5/c12-4-10(5-13)14-6-8-1-2-9-7-15-16-11(9)3-8/h1-3,7H,6H2,(H,15,16).
What are the key properties of 2-(1H-indazol-6-ylmethylimino)propanedinitrile?
2-(1H-indazol-6-ylmethylimino)propanedinitrile has a molecular weight of 209.21 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-6-ylmethylimino)propanedinitrile is sourced from PubChem (CID 167664068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).