(3-methylphenyl)-pyridazin-4-ylmethanamine

C12H13N3 — CID 105090632

IUPAC(3-methylphenyl)-pyridazin-4-ylmethanamine
SMILESCc1cccc(C(N)c2ccnnc2)c1
InChIInChI=1S/C12H13N3/c1-9-3-2-4-10(7-9)12(13)11-5-6-14-15-8-11/h2-8,12H,13H2,1H3
InChIKeyCIDWLJBBGPKIPT-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.83
Rot. Bonds2

About (3-methylphenyl)-pyridazin-4-ylmethanamine

(3-methylphenyl)-pyridazin-4-ylmethanamine (PubChem CID 105090632) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is (3-methylphenyl)-pyridazin-4-ylmethanamine.

Molecular Properties

Compound Name(3-methylphenyl)-pyridazin-4-ylmethanamine
PubChem CID105090632
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name(3-methylphenyl)-pyridazin-4-ylmethanamine
SMILESCc1cccc(C(N)c2ccnnc2)c1
InChIInChI=1S/C12H13N3/c1-9-3-2-4-10(7-9)12(13)11-5-6-14-15-8-11/h2-8,12H,13H2,1H3
InChIKeyCIDWLJBBGPKIPT-UHFFFAOYSA-N
XLogP1.83
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156097
(3-methylphenyl)-(thiadiazol-5-yl)methanamine
CID 105090729
(3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330491
(4-ethylphenyl)-pyridazin-4-ylmethanamine
CID 105121539
(3-methylphenyl)-thiophen-3-ylmethanamine
CID 60819503
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
(2-methylphenyl)-(3-methylphenyl)methanamine
CID 43828955
(3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 114197621
(2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine
CID 43345006
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
(4-ethylsulfanylphenyl)-(3-methylphenyl)methanamine
CID 106848621
2-[amino-(3-methylphenyl)methyl]aniline
CID 118675282

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-pyridazin-4-ylmethanamine?
The IUPAC name of (3-methylphenyl)-pyridazin-4-ylmethanamine (CID 105090632) is (3-methylphenyl)-pyridazin-4-ylmethanamine.
What is the SMILES notation for (3-methylphenyl)-pyridazin-4-ylmethanamine?
The canonical SMILES for (3-methylphenyl)-pyridazin-4-ylmethanamine is Cc1cccc(C(N)c2ccnnc2)c1.
What is the InChIKey of (3-methylphenyl)-pyridazin-4-ylmethanamine?
The InChIKey is CIDWLJBBGPKIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-9-3-2-4-10(7-9)12(13)11-5-6-14-15-8-11/h2-8,12H,13H2,1H3.
What are the key properties of (3-methylphenyl)-pyridazin-4-ylmethanamine?
(3-methylphenyl)-pyridazin-4-ylmethanamine has a molecular weight of 199.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-pyridazin-4-ylmethanamine is sourced from PubChem (CID 105090632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).