3-ethyl-4-hydrazinyl-2-methyl-9H-carbazole-1-carbonitrile

C16H16N4 — CID 930999

IUPAC3-ethyl-4-hydrazinyl-2-methyl-9H-carbazole-1-carbonitrile
SMILESCCc1c(C)c(C#N)c2[nH]c3ccccc3c2c1NN
InChIInChI=1S/C16H16N4/c1-3-10-9(2)12(8-17)15-14(16(10)20-18)11-6-4-5-7-13(11)19-15/h4-7,19-20H,3,18H2,1-2H3
InChIKeyMQEDHTXRQJXSLU-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.35
Rot. Bonds2

About 3-ethyl-4-hydrazinyl-2-methyl-9H-carbazole-1-carbonitrile

3-ethyl-4-hydrazinyl-2-methyl-9H-carbazole-1-carbonitrile (PubChem CID 930999) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-ethyl-4-hydrazinyl-2-methyl-9H-carbazole-1-carbonitrile.

Molecular Properties

Compound Name3-ethyl-4-hydrazinyl-2-methyl-9H-carbazole-1-carbonitrile
PubChem CID930999
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name3-ethyl-4-hydrazinyl-2-methyl-9H-carbazole-1-carbonitrile
SMILESCCc1c(C)c(C#N)c2[nH]c3ccccc3c2c1NN
InChIInChI=1S/C16H16N4/c1-3-10-9(2)12(8-17)15-14(16(10)20-18)11-6-4-5-7-13(11)19-15/h4-7,19-20H,3,18H2,1-2H3
InChIKeyMQEDHTXRQJXSLU-UHFFFAOYSA-N
XLogP3.35
TPSA77.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 3-ethyl-4-hydrazinyl-2-methyl-9H-carbazole-1-carbonitrile?
The IUPAC name of 3-ethyl-4-hydrazinyl-2-methyl-9H-carbazole-1-carbonitrile (CID 930999) is 3-ethyl-4-hydrazinyl-2-methyl-9H-carbazole-1-carbonitrile.
What is the SMILES notation for 3-ethyl-4-hydrazinyl-2-methyl-9H-carbazole-1-carbonitrile?
The canonical SMILES for 3-ethyl-4-hydrazinyl-2-methyl-9H-carbazole-1-carbonitrile is CCc1c(C)c(C#N)c2[nH]c3ccccc3c2c1NN.
What is the InChIKey of 3-ethyl-4-hydrazinyl-2-methyl-9H-carbazole-1-carbonitrile?
The InChIKey is MQEDHTXRQJXSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-3-10-9(2)12(8-17)15-14(16(10)20-18)11-6-4-5-7-13(11)19-15/h4-7,19-20H,3,18H2,1-2H3.
What are the key properties of 3-ethyl-4-hydrazinyl-2-methyl-9H-carbazole-1-carbonitrile?
3-ethyl-4-hydrazinyl-2-methyl-9H-carbazole-1-carbonitrile has a molecular weight of 264.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydrazinyl-2-methyl-9H-carbazole-1-carbonitrile is sourced from PubChem (CID 930999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).