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

C10H14N6O2 — CID 30864318

IUPAC3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)Nc2ncn[nH]2)n1
InChIInChI=1S/C10H14N6O2/c1-2-3-7-13-9(18-16-7)5-4-8(17)14-10-11-6-12-15-10/h6H,2-5H2,1H3,(H2,11,12,14,15,17)
InChIKeyBEHWZGSDWVLAEZ-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.71
Rot. Bonds6

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

3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 30864318) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID30864318
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)Nc2ncn[nH]2)n1
InChIInChI=1S/C10H14N6O2/c1-2-3-7-13-9(18-16-7)5-4-8(17)14-10-11-6-12-15-10/h6H,2-5H2,1H3,(H2,11,12,14,15,17)
InChIKeyBEHWZGSDWVLAEZ-UHFFFAOYSA-N
XLogP0.71
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 30864318) is 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide is CCCc1noc(CCC(=O)Nc2ncn[nH]2)n1.
What is the InChIKey of 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is BEHWZGSDWVLAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-2-3-7-13-9(18-16-7)5-4-8(17)14-10-11-6-12-15-10/h6H,2-5H2,1H3,(H2,11,12,14,15,17).
What are the key properties of 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 250.26 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 30864318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).