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

C10H14N6O2 — CID 64511489

IUPACN-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCc1noc(CCC(=O)N(C)Cc2ncn[nH]2)n1
InChIInChI=1S/C10H14N6O2/c1-7-13-9(18-15-7)3-4-10(17)16(2)5-8-11-6-12-14-8/h6H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyKRYDAGRFRCEMBG-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.09
Rot. Bonds5

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

N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 64511489) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID64511489
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC NameN-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCc1noc(CCC(=O)N(C)Cc2ncn[nH]2)n1
InChIInChI=1S/C10H14N6O2/c1-7-13-9(18-15-7)3-4-10(17)16(2)5-8-11-6-12-14-8/h6H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyKRYDAGRFRCEMBG-UHFFFAOYSA-N
XLogP0.09
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 64511489) is N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is Cc1noc(CCC(=O)N(C)Cc2ncn[nH]2)n1.
What is the InChIKey of N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is KRYDAGRFRCEMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-7-13-9(18-15-7)3-4-10(17)16(2)5-8-11-6-12-14-8/h6H,3-5H2,1-2H3,(H,11,12,14).
What are the key properties of N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 250.26 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 64511489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).