N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-(2-methylpropyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine

C18H25N7O2 — CID 119052071

IUPACN-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-(2-methylpropyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine
SMILESCOC(C)c1noc(CN(C)c2nnc(-c3ccccn3)n2CC(C)C)n1
InChIInChI=1S/C18H25N7O2/c1-12(2)10-25-17(14-8-6-7-9-19-14)21-22-18(25)24(4)11-15-20-16(23-27-15)13(3)26-5/h6-9,12-13H,10-11H2,1-5H3
InChIKeyJXTVLDNIHPLYAZ-UHFFFAOYSA-N
MW371.45 g/mol
LogP2.72
Rot. Bonds8

About N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-(2-methylpropyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine

N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-(2-methylpropyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine (PubChem CID 119052071) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-(2-methylpropyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-(2-methylpropyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine
PubChem CID119052071
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC NameN-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-(2-methylpropyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine
SMILESCOC(C)c1noc(CN(C)c2nnc(-c3ccccn3)n2CC(C)C)n1
InChIInChI=1S/C18H25N7O2/c1-12(2)10-25-17(14-8-6-7-9-19-14)21-22-18(25)24(4)11-15-20-16(23-27-15)13(3)26-5/h6-9,12-13H,10-11H2,1-5H3
InChIKeyJXTVLDNIHPLYAZ-UHFFFAOYSA-N
XLogP2.72
TPSA94.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-(2-methylpropyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-(2-methylpropyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine (CID 119052071) is N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-(2-methylpropyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-(2-methylpropyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-(2-methylpropyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine is COC(C)c1noc(CN(C)c2nnc(-c3ccccn3)n2CC(C)C)n1.
What is the InChIKey of N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-(2-methylpropyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine?
The InChIKey is JXTVLDNIHPLYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-12(2)10-25-17(14-8-6-7-9-19-14)21-22-18(25)24(4)11-15-20-16(23-27-15)13(3)26-5/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-(2-methylpropyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine?
N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-(2-methylpropyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine has a molecular weight of 371.45 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-(2-methylpropyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 119052071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).