(4-ethylphenyl)-pyridazin-4-ylmethanamine

C13H15N3 — CID 105121539

IUPAC(4-ethylphenyl)-pyridazin-4-ylmethanamine
SMILESCCc1ccc(C(N)c2ccnnc2)cc1
InChIInChI=1S/C13H15N3/c1-2-10-3-5-11(6-4-10)13(14)12-7-8-15-16-9-12/h3-9,13H,2,14H2,1H3
InChIKeyMRTBQZWWWXGPRM-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.09
Rot. Bonds3

About (4-ethylphenyl)-pyridazin-4-ylmethanamine

(4-ethylphenyl)-pyridazin-4-ylmethanamine (PubChem CID 105121539) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (4-ethylphenyl)-pyridazin-4-ylmethanamine.

Molecular Properties

Compound Name(4-ethylphenyl)-pyridazin-4-ylmethanamine
PubChem CID105121539
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name(4-ethylphenyl)-pyridazin-4-ylmethanamine
SMILESCCc1ccc(C(N)c2ccnnc2)cc1
InChIInChI=1S/C13H15N3/c1-2-10-3-5-11(6-4-10)13(14)12-7-8-15-16-9-12/h3-9,13H,2,14H2,1H3
InChIKeyMRTBQZWWWXGPRM-UHFFFAOYSA-N
XLogP2.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride
CID 117071668
(4-propan-2-yloxyphenyl)-pyridazin-4-ylmethanamine
CID 105144672
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
(1R)-1-pyridazin-4-ylethanamine
CID 86332876
(3-methylphenyl)-pyridazin-4-ylmethanamine
CID 105090632
(S)-(4-ethylphenyl)-thiophen-3-ylmethanamine
CID 171211233
(4-ethylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198378
(4-ethylphenyl)-(4-propan-2-yloxyphenyl)methanamine
CID 43120931
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
(4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559043
chloro-(4-ethylphenyl)methanamine
CID 116947710
2,3-dihydrofuran-5-yl-(4-ethylphenyl)methanamine
CID 102651207

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-pyridazin-4-ylmethanamine?
The IUPAC name of (4-ethylphenyl)-pyridazin-4-ylmethanamine (CID 105121539) is (4-ethylphenyl)-pyridazin-4-ylmethanamine.
What is the SMILES notation for (4-ethylphenyl)-pyridazin-4-ylmethanamine?
The canonical SMILES for (4-ethylphenyl)-pyridazin-4-ylmethanamine is CCc1ccc(C(N)c2ccnnc2)cc1.
What is the InChIKey of (4-ethylphenyl)-pyridazin-4-ylmethanamine?
The InChIKey is MRTBQZWWWXGPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-10-3-5-11(6-4-10)13(14)12-7-8-15-16-9-12/h3-9,13H,2,14H2,1H3.
What are the key properties of (4-ethylphenyl)-pyridazin-4-ylmethanamine?
(4-ethylphenyl)-pyridazin-4-ylmethanamine has a molecular weight of 213.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-pyridazin-4-ylmethanamine is sourced from PubChem (CID 105121539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).