2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C10H15N5O — CID 81072184

IUPAC2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(CN)Cc1nc(-c2ccn(C)n2)no1
InChIInChI=1S/C10H15N5O/c1-7(6-11)5-9-12-10(14-16-9)8-3-4-15(2)13-8/h3-4,7H,5-6,11H2,1-2H3
InChIKeyZGWSGWFUBLUCIT-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.61
Rot. Bonds4

About 2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 81072184) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID81072184
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(CN)Cc1nc(-c2ccn(C)n2)no1
InChIInChI=1S/C10H15N5O/c1-7(6-11)5-9-12-10(14-16-9)8-3-4-15(2)13-8/h3-4,7H,5-6,11H2,1-2H3
InChIKeyZGWSGWFUBLUCIT-UHFFFAOYSA-N
XLogP0.61
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 81072184) is 2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CC(CN)Cc1nc(-c2ccn(C)n2)no1.
What is the InChIKey of 2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is ZGWSGWFUBLUCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-7(6-11)5-9-12-10(14-16-9)8-3-4-15(2)13-8/h3-4,7H,5-6,11H2,1-2H3.
What are the key properties of 2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 221.26 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 81072184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).