2-[(1,3,3-trimethyl-2H-indol-5-yl)hydrazinylidene]propanedinitrile

C14H15N5 — CID 169341151

IUPAC2-[(1,3,3-trimethyl-2H-indol-5-yl)hydrazinylidene]propanedinitrile
SMILESCN1CC(C)(C)c2cc(NN=C(C#N)C#N)ccc21
InChIInChI=1S/C14H15N5/c1-14(2)9-19(3)13-5-4-10(6-12(13)14)17-18-11(7-15)8-16/h4-6,17H,9H2,1-3H3
InChIKeyAVWIDHSTYUEZGG-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.23
Rot. Bonds2

About 2-[(1,3,3-trimethyl-2H-indol-5-yl)hydrazinylidene]propanedinitrile

2-[(1,3,3-trimethyl-2H-indol-5-yl)hydrazinylidene]propanedinitrile (PubChem CID 169341151) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[(1,3,3-trimethyl-2H-indol-5-yl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(1,3,3-trimethyl-2H-indol-5-yl)hydrazinylidene]propanedinitrile
PubChem CID169341151
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-[(1,3,3-trimethyl-2H-indol-5-yl)hydrazinylidene]propanedinitrile
SMILESCN1CC(C)(C)c2cc(NN=C(C#N)C#N)ccc21
InChIInChI=1S/C14H15N5/c1-14(2)9-19(3)13-5-4-10(6-12(13)14)17-18-11(7-15)8-16/h4-6,17H,9H2,1-3H3
InChIKeyAVWIDHSTYUEZGG-UHFFFAOYSA-N
XLogP2.23
TPSA75.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3,3-trimethyl-2H-indol-5-yl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(1,3,3-trimethyl-2H-indol-5-yl)hydrazinylidene]propanedinitrile (CID 169341151) is 2-[(1,3,3-trimethyl-2H-indol-5-yl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(1,3,3-trimethyl-2H-indol-5-yl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(1,3,3-trimethyl-2H-indol-5-yl)hydrazinylidene]propanedinitrile is CN1CC(C)(C)c2cc(NN=C(C#N)C#N)ccc21.
What is the InChIKey of 2-[(1,3,3-trimethyl-2H-indol-5-yl)hydrazinylidene]propanedinitrile?
The InChIKey is AVWIDHSTYUEZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-14(2)9-19(3)13-5-4-10(6-12(13)14)17-18-11(7-15)8-16/h4-6,17H,9H2,1-3H3.
What are the key properties of 2-[(1,3,3-trimethyl-2H-indol-5-yl)hydrazinylidene]propanedinitrile?
2-[(1,3,3-trimethyl-2H-indol-5-yl)hydrazinylidene]propanedinitrile has a molecular weight of 253.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3,3-trimethyl-2H-indol-5-yl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169341151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).