N-ethylpyridazin-4-amine

C6H9N3 — CID 68802730

IUPACN-ethylpyridazin-4-amine
SMILESCCNc1ccnnc1
InChIInChI=1S/C6H9N3/c1-2-7-6-3-4-8-9-5-6/h3-5H,2H2,1H3,(H,7,8)
InChIKeyBKLRUHXJKBGDME-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.91
Rot. Bonds2

About N-ethylpyridazin-4-amine

N-ethylpyridazin-4-amine (PubChem CID 68802730) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is N-ethylpyridazin-4-amine.

Molecular Properties

Compound NameN-ethylpyridazin-4-amine
PubChem CID68802730
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC NameN-ethylpyridazin-4-amine
SMILESCCNc1ccnnc1
InChIInChI=1S/C6H9N3/c1-2-7-6-3-4-8-9-5-6/h3-5H,2H2,1H3,(H,7,8)
InChIKeyBKLRUHXJKBGDME-UHFFFAOYSA-N
XLogP0.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethylpyridazin-4-amine?
The IUPAC name of N-ethylpyridazin-4-amine (CID 68802730) is N-ethylpyridazin-4-amine.
What is the SMILES notation for N-ethylpyridazin-4-amine?
The canonical SMILES for N-ethylpyridazin-4-amine is CCNc1ccnnc1.
What is the InChIKey of N-ethylpyridazin-4-amine?
The InChIKey is BKLRUHXJKBGDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-7-6-3-4-8-9-5-6/h3-5H,2H2,1H3,(H,7,8).
What are the key properties of N-ethylpyridazin-4-amine?
N-ethylpyridazin-4-amine has a molecular weight of 123.16 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylpyridazin-4-amine is sourced from PubChem (CID 68802730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).