2-[(3-methyl-1H-indol-7-yl)hydrazinylidene]propanedinitrile

C12H9N5 — CID 169337941

IUPAC2-[(3-methyl-1H-indol-7-yl)hydrazinylidene]propanedinitrile
SMILESCc1c[nH]c2c(NN=C(C#N)C#N)cccc12
InChIInChI=1S/C12H9N5/c1-8-7-15-12-10(8)3-2-4-11(12)17-16-9(5-13)6-14/h2-4,7,15,17H,1H3
InChIKeyVSBXPIRLORNRTC-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.29
Rot. Bonds2

About 2-[(3-methyl-1H-indol-7-yl)hydrazinylidene]propanedinitrile

2-[(3-methyl-1H-indol-7-yl)hydrazinylidene]propanedinitrile (PubChem CID 169337941) has the molecular formula C12H9N5 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-[(3-methyl-1H-indol-7-yl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(3-methyl-1H-indol-7-yl)hydrazinylidene]propanedinitrile
PubChem CID169337941
Molecular FormulaC12H9N5
Molecular Weight223.24 g/mol
Exact Mass223.09
IUPAC Name2-[(3-methyl-1H-indol-7-yl)hydrazinylidene]propanedinitrile
SMILESCc1c[nH]c2c(NN=C(C#N)C#N)cccc12
InChIInChI=1S/C12H9N5/c1-8-7-15-12-10(8)3-2-4-11(12)17-16-9(5-13)6-14/h2-4,7,15,17H,1H3
InChIKeyVSBXPIRLORNRTC-UHFFFAOYSA-N
XLogP2.29
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-1-oxoisoquinolin-5-yl)hydrazinylidene]propanedinitrile
CID 166903577
2-[[3-(hydroxymethyl)-2-methylphenyl]hydrazinylidene]propanedinitrile
CID 169337771
2-[2-(dicyanomethylidene)hydrazinyl]-6-methylbenzoic acid
CID 169337524
2-(1H-benzimidazol-4-ylhydrazinylidene)propanedinitrile
CID 169339086
2-[(2-methyl-4-phenylphenyl)hydrazinylidene]propanedinitrile
CID 169341630
2-[(2-fluorophenyl)hydrazinylidene]propanedinitrile
CID 4229918
2-[(2-bromophenyl)hydrazinylidene]propanedinitrile
CID 779795
2-[(2-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile
CID 169337369
1-chloro-3-[(3-methyl-1H-indol-7-yl)amino]propan-2-ol
CID 168636860
2-[(1-methylbenzotriazol-4-yl)hydrazinylidene]propanedinitrile
CID 169338863
3-[2-(dicyanomethylidene)hydrazinyl]-N,N,2-trimethylbenzamide
CID 169337914
2-(3-methyl-1H-indol-7-yl)propan-2-ol
CID 117205271

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1H-indol-7-yl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(3-methyl-1H-indol-7-yl)hydrazinylidene]propanedinitrile (CID 169337941) is 2-[(3-methyl-1H-indol-7-yl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(3-methyl-1H-indol-7-yl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(3-methyl-1H-indol-7-yl)hydrazinylidene]propanedinitrile is Cc1c[nH]c2c(NN=C(C#N)C#N)cccc12.
What is the InChIKey of 2-[(3-methyl-1H-indol-7-yl)hydrazinylidene]propanedinitrile?
The InChIKey is VSBXPIRLORNRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5/c1-8-7-15-12-10(8)3-2-4-11(12)17-16-9(5-13)6-14/h2-4,7,15,17H,1H3.
What are the key properties of 2-[(3-methyl-1H-indol-7-yl)hydrazinylidene]propanedinitrile?
2-[(3-methyl-1H-indol-7-yl)hydrazinylidene]propanedinitrile has a molecular weight of 223.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1H-indol-7-yl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169337941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).