N,N,N'-trimethyl-N'-(1,2,4-oxadiazol-5-yl)ethane-1,2-diamine

C7H14N4O — CID 118244795

IUPACN,N,N'-trimethyl-N'-(1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
SMILESCN(C)CCN(C)c1ncno1
InChIInChI=1S/C7H14N4O/c1-10(2)4-5-11(3)7-8-6-9-12-7/h6H,4-5H2,1-3H3
InChIKeyBBWQMLKBWLKXDS-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.07
Rot. Bonds4

About N,N,N'-trimethyl-N'-(1,2,4-oxadiazol-5-yl)ethane-1,2-diamine

N,N,N'-trimethyl-N'-(1,2,4-oxadiazol-5-yl)ethane-1,2-diamine (PubChem CID 118244795) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(1,2,4-oxadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
PubChem CID118244795
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC NameN,N,N'-trimethyl-N'-(1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
SMILESCN(C)CCN(C)c1ncno1
InChIInChI=1S/C7H14N4O/c1-10(2)4-5-11(3)7-8-6-9-12-7/h6H,4-5H2,1-3H3
InChIKeyBBWQMLKBWLKXDS-UHFFFAOYSA-N
XLogP0.07
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(1,2,4-oxadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(1,2,4-oxadiazol-5-yl)ethane-1,2-diamine (CID 118244795) is N,N,N'-trimethyl-N'-(1,2,4-oxadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(1,2,4-oxadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(1,2,4-oxadiazol-5-yl)ethane-1,2-diamine is CN(C)CCN(C)c1ncno1.
What is the InChIKey of N,N,N'-trimethyl-N'-(1,2,4-oxadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is BBWQMLKBWLKXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-10(2)4-5-11(3)7-8-6-9-12-7/h6H,4-5H2,1-3H3.
What are the key properties of N,N,N'-trimethyl-N'-(1,2,4-oxadiazol-5-yl)ethane-1,2-diamine?
N,N,N'-trimethyl-N'-(1,2,4-oxadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 170.22 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(1,2,4-oxadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 118244795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).