1-[(6-methoxypyridazin-3-yl)methyl]pyrazol-4-amine

C9H11N5O — CID 165473216

IUPAC1-[(6-methoxypyridazin-3-yl)methyl]pyrazol-4-amine
SMILESCOc1ccc(Cn2cc(N)cn2)nn1
InChIInChI=1S/C9H11N5O/c1-15-9-3-2-8(12-13-9)6-14-5-7(10)4-11-14/h2-5H,6,10H2,1H3
InChIKeyBNMASVREKMZXKW-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.31
Rot. Bonds3

About 1-[(6-methoxypyridazin-3-yl)methyl]pyrazol-4-amine

1-[(6-methoxypyridazin-3-yl)methyl]pyrazol-4-amine (PubChem CID 165473216) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-[(6-methoxypyridazin-3-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(6-methoxypyridazin-3-yl)methyl]pyrazol-4-amine
PubChem CID165473216
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name1-[(6-methoxypyridazin-3-yl)methyl]pyrazol-4-amine
SMILESCOc1ccc(Cn2cc(N)cn2)nn1
InChIInChI=1S/C9H11N5O/c1-15-9-3-2-8(12-13-9)6-14-5-7(10)4-11-14/h2-5H,6,10H2,1H3
InChIKeyBNMASVREKMZXKW-UHFFFAOYSA-N
XLogP0.31
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxypyridazin-3-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(6-methoxypyridazin-3-yl)methyl]pyrazol-4-amine (CID 165473216) is 1-[(6-methoxypyridazin-3-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(6-methoxypyridazin-3-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(6-methoxypyridazin-3-yl)methyl]pyrazol-4-amine is COc1ccc(Cn2cc(N)cn2)nn1.
What is the InChIKey of 1-[(6-methoxypyridazin-3-yl)methyl]pyrazol-4-amine?
The InChIKey is BNMASVREKMZXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-15-9-3-2-8(12-13-9)6-14-5-7(10)4-11-14/h2-5H,6,10H2,1H3.
What are the key properties of 1-[(6-methoxypyridazin-3-yl)methyl]pyrazol-4-amine?
1-[(6-methoxypyridazin-3-yl)methyl]pyrazol-4-amine has a molecular weight of 205.22 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxypyridazin-3-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 165473216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).