N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide

C11H17N7O2 — CID 66194109

IUPACN-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
SMILESCCCNCc1cn(CC(=O)Nc2nnc(C)o2)nn1
InChIInChI=1S/C11H17N7O2/c1-3-4-12-5-9-6-18(17-15-9)7-10(19)13-11-16-14-8(2)20-11/h6,12H,3-5,7H2,1-2H3,(H,13,16,19)
InChIKeyRQHSDSXCMQWNMD-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.11
Rot. Bonds7

About N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide

N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide (PubChem CID 66194109) has the molecular formula C11H17N7O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
PubChem CID66194109
Molecular FormulaC11H17N7O2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC NameN-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
SMILESCCCNCc1cn(CC(=O)Nc2nnc(C)o2)nn1
InChIInChI=1S/C11H17N7O2/c1-3-4-12-5-9-6-18(17-15-9)7-10(19)13-11-16-14-8(2)20-11/h6,12H,3-5,7H2,1-2H3,(H,13,16,19)
InChIKeyRQHSDSXCMQWNMD-UHFFFAOYSA-N
XLogP0.11
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide (CID 66194109) is N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide is CCCNCc1cn(CC(=O)Nc2nnc(C)o2)nn1.
What is the InChIKey of N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide?
The InChIKey is RQHSDSXCMQWNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O2/c1-3-4-12-5-9-6-18(17-15-9)7-10(19)13-11-16-14-8(2)20-11/h6,12H,3-5,7H2,1-2H3,(H,13,16,19).
What are the key properties of N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide?
N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide has a molecular weight of 279.30 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 66194109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).