3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C9H12N6O2 — CID 54883484

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCc1noc(CCC(=O)NCc2ncn[nH]2)n1
InChIInChI=1S/C9H12N6O2/c1-6-13-9(17-15-6)3-2-8(16)10-4-7-11-5-12-14-7/h5H,2-4H2,1H3,(H,10,16)(H,11,12,14)
InChIKeyRNSVOCRVEGGEPV-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.25
Rot. Bonds5

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 54883484) has the molecular formula C9H12N6O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID54883484
Molecular FormulaC9H12N6O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCc1noc(CCC(=O)NCc2ncn[nH]2)n1
InChIInChI=1S/C9H12N6O2/c1-6-13-9(17-15-6)3-2-8(16)10-4-7-11-5-12-14-7/h5H,2-4H2,1H3,(H,10,16)(H,11,12,14)
InChIKeyRNSVOCRVEGGEPV-UHFFFAOYSA-N
XLogP-0.25
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 54883484) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is Cc1noc(CCC(=O)NCc2ncn[nH]2)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is RNSVOCRVEGGEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2/c1-6-13-9(17-15-6)3-2-8(16)10-4-7-11-5-12-14-7/h5H,2-4H2,1H3,(H,10,16)(H,11,12,14).
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 236.23 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 54883484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).