2-hydrazinyl-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile

C11H11N5 — CID 91734611

IUPAC2-hydrazinyl-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile
SMILESN#Cc1c(NN)nc2c(c1C#N)CCCC2
InChIInChI=1S/C11H11N5/c12-5-8-7-3-1-2-4-10(7)15-11(16-14)9(8)6-13/h1-4,14H2,(H,15,16)
InChIKeySHYWZRARMBLBJR-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.99
Rot. Bonds1

About 2-hydrazinyl-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile

2-hydrazinyl-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile (PubChem CID 91734611) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-hydrazinyl-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-hydrazinyl-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile
PubChem CID91734611
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name2-hydrazinyl-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile
SMILESN#Cc1c(NN)nc2c(c1C#N)CCCC2
InChIInChI=1S/C11H11N5/c12-5-8-7-3-1-2-4-10(7)15-11(16-14)9(8)6-13/h1-4,14H2,(H,15,16)
InChIKeySHYWZRARMBLBJR-UHFFFAOYSA-N
XLogP0.99
TPSA98.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-hydrazinyl-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile?
The IUPAC name of 2-hydrazinyl-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile (CID 91734611) is 2-hydrazinyl-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile.
What is the SMILES notation for 2-hydrazinyl-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile?
The canonical SMILES for 2-hydrazinyl-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile is N#Cc1c(NN)nc2c(c1C#N)CCCC2.
What is the InChIKey of 2-hydrazinyl-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile?
The InChIKey is SHYWZRARMBLBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c12-5-8-7-3-1-2-4-10(7)15-11(16-14)9(8)6-13/h1-4,14H2,(H,15,16).
What are the key properties of 2-hydrazinyl-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile?
2-hydrazinyl-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile has a molecular weight of 213.24 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile is sourced from PubChem (CID 91734611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).