N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine

C14H19N5O — CID 133459940

IUPACN-[(1-methoxycyclobutyl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
SMILESCOC1(CNc2ccc(-n3ccc(C)n3)nn2)CCC1
InChIInChI=1S/C14H19N5O/c1-11-6-9-19(18-11)13-5-4-12(16-17-13)15-10-14(20-2)7-3-8-14/h4-6,9H,3,7-8,10H2,1-2H3,(H,15,16)
InChIKeySUFZYHZCOSATMG-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.95
Rot. Bonds5

About N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine

N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine (PubChem CID 133459940) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
PubChem CID133459940
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
SMILESCOC1(CNc2ccc(-n3ccc(C)n3)nn2)CCC1
InChIInChI=1S/C14H19N5O/c1-11-6-9-19(18-11)13-5-4-12(16-17-13)15-10-14(20-2)7-3-8-14/h4-6,9H,3,7-8,10H2,1-2H3,(H,15,16)
InChIKeySUFZYHZCOSATMG-UHFFFAOYSA-N
XLogP1.95
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine (CID 133459940) is N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine is COC1(CNc2ccc(-n3ccc(C)n3)nn2)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The InChIKey is SUFZYHZCOSATMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-6-9-19(18-11)13-5-4-12(16-17-13)15-10-14(20-2)7-3-8-14/h4-6,9H,3,7-8,10H2,1-2H3,(H,15,16).
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine has a molecular weight of 273.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine is sourced from PubChem (CID 133459940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).