1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine

C13H19N5 — CID 105148320

IUPAC1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
SMILESCCn1nccc1C(NC)c1cc(C)nnc1C
InChIInChI=1S/C13H19N5/c1-5-18-12(6-7-15-18)13(14-4)11-8-9(2)16-17-10(11)3/h6-8,13-14H,5H2,1-4H3
InChIKeyBOBGXHYLJBSQIE-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.62
Rot. Bonds4

About 1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine

1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine (PubChem CID 105148320) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
PubChem CID105148320
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
SMILESCCn1nccc1C(NC)c1cc(C)nnc1C
InChIInChI=1S/C13H19N5/c1-5-18-12(6-7-15-18)13(14-4)11-8-9(2)16-17-10(11)3/h6-8,13-14H,5H2,1-4H3
InChIKeyBOBGXHYLJBSQIE-UHFFFAOYSA-N
XLogP1.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 81276228
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-phenylmethanamine
CID 105083769
1-(2-chloro-3-methylphenyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 115857986
1-(2-ethylpyrazol-3-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 115858049
1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 63977212
N-[(3,6-dimethylpyridazin-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148759
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 115858110
N-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine
CID 105083698
1-(4-tert-butylthiadiazol-5-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 105148452
1-(2-ethylpyrazol-3-yl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 105148456
1-(5-bromofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 115857997
N-[(2,6-dimethyl-3-pyridinyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 105148360

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine (CID 105148320) is 1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine is CCn1nccc1C(NC)c1cc(C)nnc1C.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
The InChIKey is BOBGXHYLJBSQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-5-18-12(6-7-15-18)13(14-4)11-8-9(2)16-17-10(11)3/h6-8,13-14H,5H2,1-4H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 105148320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).