3-(3-amino-1H-1,2,4-triazol-5-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide

C12H19N7O2 — CID 70725365

IUPAC3-(3-amino-1H-1,2,4-triazol-5-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCC(C)c1nc(CN(C)C(=O)CCc2nc(N)n[nH]2)no1
InChIInChI=1S/C12H19N7O2/c1-7(2)11-14-9(18-21-11)6-19(3)10(20)5-4-8-15-12(13)17-16-8/h7H,4-6H2,1-3H3,(H3,13,15,16,17)
InChIKeyRRZNKXVRZFNWMY-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.48
Rot. Bonds6

About 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide

3-(3-amino-1H-1,2,4-triazol-5-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide (PubChem CID 70725365) has the molecular formula C12H19N7O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-amino-1H-1,2,4-triazol-5-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
PubChem CID70725365
Molecular FormulaC12H19N7O2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name3-(3-amino-1H-1,2,4-triazol-5-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCC(C)c1nc(CN(C)C(=O)CCc2nc(N)n[nH]2)no1
InChIInChI=1S/C12H19N7O2/c1-7(2)11-14-9(18-21-11)6-19(3)10(20)5-4-8-15-12(13)17-16-8/h7H,4-6H2,1-3H3,(H3,13,15,16,17)
InChIKeyRRZNKXVRZFNWMY-UHFFFAOYSA-N
XLogP0.48
TPSA126.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide (CID 70725365) is 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide is CC(C)c1nc(CN(C)C(=O)CCc2nc(N)n[nH]2)no1.
What is the InChIKey of 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The InChIKey is RRZNKXVRZFNWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O2/c1-7(2)11-14-9(18-21-11)6-19(3)10(20)5-4-8-15-12(13)17-16-8/h7H,4-6H2,1-3H3,(H3,13,15,16,17).
What are the key properties of 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
3-(3-amino-1H-1,2,4-triazol-5-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide has a molecular weight of 293.33 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide is sourced from PubChem (CID 70725365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).