3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine

C14H21N5O — CID 91648217

IUPAC3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCCCc2nc(C(C)C)no2)n1
InChIInChI=1S/C14H21N5O/c1-9(2)13-18-12(20-19-13)6-5-7-15-14-11(4)16-8-10(3)17-14/h8-9H,5-7H2,1-4H3,(H,15,17)
InChIKeyYFBSSEYRYKJDGJ-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.64
Rot. Bonds6

About 3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine

3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine (PubChem CID 91648217) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine
PubChem CID91648217
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCCCc2nc(C(C)C)no2)n1
InChIInChI=1S/C14H21N5O/c1-9(2)13-18-12(20-19-13)6-5-7-15-14-11(4)16-8-10(3)17-14/h8-9H,5-7H2,1-4H3,(H,15,17)
InChIKeyYFBSSEYRYKJDGJ-UHFFFAOYSA-N
XLogP2.64
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine (CID 91648217) is 3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine is Cc1cnc(C)c(NCCCc2nc(C(C)C)no2)n1.
What is the InChIKey of 3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine?
The InChIKey is YFBSSEYRYKJDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-9(2)13-18-12(20-19-13)6-5-7-15-14-11(4)16-8-10(3)17-14/h8-9H,5-7H2,1-4H3,(H,15,17).
What are the key properties of 3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine?
3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine has a molecular weight of 275.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine is sourced from PubChem (CID 91648217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).