cyclopropyl-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)methanamine

C10H11N5O — CID 104672139

IUPACcyclopropyl-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)methanamine
SMILESNC(c1noc(-c2ccnnc2)n1)C1CC1
InChIInChI=1S/C10H11N5O/c11-8(6-1-2-6)9-14-10(16-15-9)7-3-4-12-13-5-7/h3-6,8H,1-2,11H2
InChIKeyRTBJFVJLDXANJB-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.94
Rot. Bonds3

About cyclopropyl-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)methanamine

cyclopropyl-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 104672139) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is cyclopropyl-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID104672139
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Namecyclopropyl-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)methanamine
SMILESNC(c1noc(-c2ccnnc2)n1)C1CC1
InChIInChI=1S/C10H11N5O/c11-8(6-1-2-6)9-14-10(16-15-9)7-3-4-12-13-5-7/h3-6,8H,1-2,11H2
InChIKeyRTBJFVJLDXANJB-UHFFFAOYSA-N
XLogP0.94
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 61325038
cyclopropyl-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324851
[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 107992711
[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 61325661
N',N'-diethyl-1-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine
CID 104672221
[5-(2-bromo-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 81117399
cyclopropyl-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 103121818
[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 61325046
cyclopropyl-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61325253
cyclopropyl-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 62874824
cyclopropyl-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324642
cyclopropyl-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324445

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of cyclopropyl-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)methanamine (CID 104672139) is cyclopropyl-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for cyclopropyl-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for cyclopropyl-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)methanamine is NC(c1noc(-c2ccnnc2)n1)C1CC1.
What is the InChIKey of cyclopropyl-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is RTBJFVJLDXANJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-8(6-1-2-6)9-14-10(16-15-9)7-3-4-12-13-5-7/h3-6,8H,1-2,11H2.
What are the key properties of cyclopropyl-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)methanamine?
cyclopropyl-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 217.23 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 104672139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).