N'-cinnolin-4-ylethane-1,2-diamine

C10H12N4 — CID 12027105

IUPACN'-cinnolin-4-ylethane-1,2-diamine
SMILESNCCNc1cnnc2ccccc12
InChIInChI=1S/C10H12N4/c11-5-6-12-10-7-13-14-9-4-2-1-3-8(9)10/h1-4,7H,5-6,11H2,(H,12,14)
InChIKeyRPLCJHCCVFVWND-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.00
Rot. Bonds3

About N'-cinnolin-4-ylethane-1,2-diamine

N'-cinnolin-4-ylethane-1,2-diamine (PubChem CID 12027105) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is N'-cinnolin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cinnolin-4-ylethane-1,2-diamine
PubChem CID12027105
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC NameN'-cinnolin-4-ylethane-1,2-diamine
SMILESNCCNc1cnnc2ccccc12
InChIInChI=1S/C10H12N4/c11-5-6-12-10-7-13-14-9-4-2-1-3-8(9)10/h1-4,7H,5-6,11H2,(H,12,14)
InChIKeyRPLCJHCCVFVWND-UHFFFAOYSA-N
XLogP1.00
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-cinnolin-4-ylethane-1,2-diamine?
The IUPAC name of N'-cinnolin-4-ylethane-1,2-diamine (CID 12027105) is N'-cinnolin-4-ylethane-1,2-diamine.
What is the SMILES notation for N'-cinnolin-4-ylethane-1,2-diamine?
The canonical SMILES for N'-cinnolin-4-ylethane-1,2-diamine is NCCNc1cnnc2ccccc12.
What is the InChIKey of N'-cinnolin-4-ylethane-1,2-diamine?
The InChIKey is RPLCJHCCVFVWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c11-5-6-12-10-7-13-14-9-4-2-1-3-8(9)10/h1-4,7H,5-6,11H2,(H,12,14).
What are the key properties of N'-cinnolin-4-ylethane-1,2-diamine?
N'-cinnolin-4-ylethane-1,2-diamine has a molecular weight of 188.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cinnolin-4-ylethane-1,2-diamine is sourced from PubChem (CID 12027105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).