(4-bromo-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanamine

C10H12BrN5O — CID 103374008

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanamine
SMILESCOc1ccc(C(N)c2c(Br)cnn2C)nn1
InChIInChI=1S/C10H12BrN5O/c1-16-10(6(11)5-13-16)9(12)7-3-4-8(17-2)15-14-7/h3-5,9H,12H2,1-2H3
InChIKeyRSPIDLAILVFYCN-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.03
Rot. Bonds3

About (4-bromo-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanamine

(4-bromo-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanamine (PubChem CID 103374008) has the molecular formula C10H12BrN5O and a molecular weight of 298.14 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanamine
PubChem CID103374008
Molecular FormulaC10H12BrN5O
Molecular Weight298.14 g/mol
Exact Mass297.02
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanamine
SMILESCOc1ccc(C(N)c2c(Br)cnn2C)nn1
InChIInChI=1S/C10H12BrN5O/c1-16-10(6(11)5-13-16)9(12)7-3-4-8(17-2)15-14-7/h3-5,9H,12H2,1-2H3
InChIKeyRSPIDLAILVFYCN-UHFFFAOYSA-N
XLogP1.03
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 103374066
(3-bromo-4-methoxyphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054199
2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 103374002
(4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine
CID 105066155
(1R)-1-(6-methoxypyridazin-3-yl)ethanamine
CID 69002716
(4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine
CID 105054313
(5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054403
(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methanamine
CID 105054374
N-[(4-methoxy-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374801
(4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine
CID 105054323
(4-bromo-1-methylpyrazol-5-yl)-(4-bromothiophen-2-yl)methanamine
CID 114652742
2,3-dihydrofuran-5-yl-(6-methoxypyridazin-3-yl)methanamine
CID 103373797

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanamine?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanamine (CID 103374008) is (4-bromo-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanamine.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanamine?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanamine is COc1ccc(C(N)c2c(Br)cnn2C)nn1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanamine?
The InChIKey is RSPIDLAILVFYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O/c1-16-10(6(11)5-13-16)9(12)7-3-4-8(17-2)15-14-7/h3-5,9H,12H2,1-2H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanamine?
(4-bromo-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanamine has a molecular weight of 298.14 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanamine is sourced from PubChem (CID 103374008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).