N-(2-methoxyethyl)-N'-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine

C10H17N7O — CID 55090725

IUPACN-(2-methoxyethyl)-N'-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine
SMILESCOCCNCCN(C)c1cncc2nnnn12
InChIInChI=1S/C10H17N7O/c1-16(5-3-11-4-6-18-2)10-8-12-7-9-13-14-15-17(9)10/h7-8,11H,3-6H2,1-2H3
InChIKeyXZJUGKNMXPVKMF-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.81
Rot. Bonds7

About N-(2-methoxyethyl)-N'-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine

N-(2-methoxyethyl)-N'-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine (PubChem CID 55090725) has the molecular formula C10H17N7O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine
PubChem CID55090725
Molecular FormulaC10H17N7O
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC NameN-(2-methoxyethyl)-N'-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine
SMILESCOCCNCCN(C)c1cncc2nnnn12
InChIInChI=1S/C10H17N7O/c1-16(5-3-11-4-6-18-2)10-8-12-7-9-13-14-15-17(9)10/h7-8,11H,3-6H2,1-2H3
InChIKeyXZJUGKNMXPVKMF-UHFFFAOYSA-N
XLogP-0.81
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
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-(2-methoxyethyl)-N'-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine (CID 55090725) is N-(2-methoxyethyl)-N'-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine is COCCNCCN(C)c1cncc2nnnn12.
What is the InChIKey of N-(2-methoxyethyl)-N'-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine?
The InChIKey is XZJUGKNMXPVKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O/c1-16(5-3-11-4-6-18-2)10-8-12-7-9-13-14-15-17(9)10/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N'-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine?
N-(2-methoxyethyl)-N'-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine has a molecular weight of 251.29 g/mol, XLogP of -0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 55090725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).