cyclopropyl-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine

C10H13N5O — CID 103121818

IUPACcyclopropyl-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCn1ccc(-c2nc(C(N)C3CC3)no2)n1
InChIInChI=1S/C10H13N5O/c1-15-5-4-7(13-15)10-12-9(14-16-10)8(11)6-2-3-6/h4-6,8H,2-3,11H2,1H3
InChIKeyXKKXLKVSGLYLSJ-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.88
Rot. Bonds3

About cyclopropyl-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine

cyclopropyl-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 103121818) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is cyclopropyl-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID103121818
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Namecyclopropyl-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCn1ccc(-c2nc(C(N)C3CC3)no2)n1
InChIInChI=1S/C10H13N5O/c1-15-5-4-7(13-15)10-12-9(14-16-10)8(11)6-2-3-6/h4-6,8H,2-3,11H2,1H3
InChIKeyXKKXLKVSGLYLSJ-UHFFFAOYSA-N
XLogP0.88
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 103121999
cyclopropyl-[5-[1-(2-methoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 167937797
cyclopropyl-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61325253
3-(1-chlorobutyl)-5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 103119661
1-cyclopropyl-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65197811
cyclopropyl-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 104672139
[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 61325661
[5-(2-bromo-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 81117399
[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 61325046
[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

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of cyclopropyl-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine (CID 103121818) is cyclopropyl-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for cyclopropyl-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for cyclopropyl-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine is Cn1ccc(-c2nc(C(N)C3CC3)no2)n1.
What is the InChIKey of cyclopropyl-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is XKKXLKVSGLYLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-15-5-4-7(13-15)10-12-9(14-16-10)8(11)6-2-3-6/h4-6,8H,2-3,11H2,1H3.
What are the key properties of cyclopropyl-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
cyclopropyl-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 219.25 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 103121818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).