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

C11H18N6O2 — CID 118762857

IUPAC1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCOCCn1cnnc1CN(C)Cc1nc(C)no1
InChIInChI=1S/C11H18N6O2/c1-9-13-11(19-15-9)7-16(2)6-10-14-12-8-17(10)4-5-18-3/h8H,4-7H2,1-3H3
InChIKeyCMQKCEIBJBUGPR-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.25
Rot. Bonds7

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

1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 118762857) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID118762857
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCOCCn1cnnc1CN(C)Cc1nc(C)no1
InChIInChI=1S/C11H18N6O2/c1-9-13-11(19-15-9)7-16(2)6-10-14-12-8-17(10)4-5-18-3/h8H,4-7H2,1-3H3
InChIKeyCMQKCEIBJBUGPR-UHFFFAOYSA-N
XLogP0.25
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 118762857) is 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is COCCn1cnnc1CN(C)Cc1nc(C)no1.
What is the InChIKey of 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is CMQKCEIBJBUGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-9-13-11(19-15-9)7-16(2)6-10-14-12-8-17(10)4-5-18-3/h8H,4-7H2,1-3H3.
What are the key properties of 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 266.30 g/mol, XLogP of 0.25, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 118762857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).