5-methoxy-1,2-dimethyl-1,2,5-triazepane

C7H17N3O — CID 90180666

IUPAC5-methoxy-1,2-dimethyl-1,2,5-triazepane
SMILESCON1CCN(C)N(C)CC1
InChIInChI=1S/C7H17N3O/c1-8-4-6-10(11-3)7-5-9(8)2/h4-7H2,1-3H3
InChIKeyWUZDKXHOEVCUFQ-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.36
Rot. Bonds1

About 5-methoxy-1,2-dimethyl-1,2,5-triazepane

5-methoxy-1,2-dimethyl-1,2,5-triazepane (PubChem CID 90180666) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 5-methoxy-1,2-dimethyl-1,2,5-triazepane.

Molecular Properties

Compound Name5-methoxy-1,2-dimethyl-1,2,5-triazepane
PubChem CID90180666
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name5-methoxy-1,2-dimethyl-1,2,5-triazepane
SMILESCON1CCN(C)N(C)CC1
InChIInChI=1S/C7H17N3O/c1-8-4-6-10(11-3)7-5-9(8)2/h4-7H2,1-3H3
InChIKeyWUZDKXHOEVCUFQ-UHFFFAOYSA-N
XLogP-0.36
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2-dimethyl-1,2,5-triazepane?
The IUPAC name of 5-methoxy-1,2-dimethyl-1,2,5-triazepane (CID 90180666) is 5-methoxy-1,2-dimethyl-1,2,5-triazepane.
What is the SMILES notation for 5-methoxy-1,2-dimethyl-1,2,5-triazepane?
The canonical SMILES for 5-methoxy-1,2-dimethyl-1,2,5-triazepane is CON1CCN(C)N(C)CC1.
What is the InChIKey of 5-methoxy-1,2-dimethyl-1,2,5-triazepane?
The InChIKey is WUZDKXHOEVCUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-8-4-6-10(11-3)7-5-9(8)2/h4-7H2,1-3H3.
What are the key properties of 5-methoxy-1,2-dimethyl-1,2,5-triazepane?
5-methoxy-1,2-dimethyl-1,2,5-triazepane has a molecular weight of 159.23 g/mol, XLogP of -0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2-dimethyl-1,2,5-triazepane is sourced from PubChem (CID 90180666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).