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

C10H13N5O3 — CID 65353841

IUPAC4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2nc(C3COCCO3)no2)c1N
InChIInChI=1S/C10H13N5O3/c1-15-8(11)6(4-12-15)10-13-9(14-18-10)7-5-16-2-3-17-7/h4,7H,2-3,5,11H2,1H3
InChIKeyZBNSRQNOZYVYDR-UHFFFAOYSA-N
MW251.25 g/mol
LogP0.14
Rot. Bonds2

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

4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine (PubChem CID 65353841) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
PubChem CID65353841
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2nc(C3COCCO3)no2)c1N
InChIInChI=1S/C10H13N5O3/c1-15-8(11)6(4-12-15)10-13-9(14-18-10)7-5-16-2-3-17-7/h4,7H,2-3,5,11H2,1H3
InChIKeyZBNSRQNOZYVYDR-UHFFFAOYSA-N
XLogP0.14
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine (CID 65353841) is 4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine is Cn1ncc(-c2nc(C3COCCO3)no2)c1N.
What is the InChIKey of 4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine?
The InChIKey is ZBNSRQNOZYVYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c1-15-8(11)6(4-12-15)10-13-9(14-18-10)7-5-16-2-3-17-7/h4,7H,2-3,5,11H2,1H3.
What are the key properties of 4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine?
4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine has a molecular weight of 251.25 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 65353841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).