N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(tetrazolo[1,5-a]pyrazin-8-yl)ethane-1,2-diamine

C15H19N7O — CID 167838716

IUPACN'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(tetrazolo[1,5-a]pyrazin-8-yl)ethane-1,2-diamine
SMILESCOc1ccc(CN(C)CCNc2nccn3nnnc23)cc1
InChIInChI=1S/C15H19N7O/c1-21(11-12-3-5-13(23-2)6-4-12)9-7-16-14-15-18-19-20-22(15)10-8-17-14/h3-6,8,10H,7,9,11H2,1-2H3,(H,16,17)
InChIKeyJOKWQTOERDVCAK-UHFFFAOYSA-N
MW313.37 g/mol
LogP1.07
Rot. Bonds7

About N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(tetrazolo[1,5-a]pyrazin-8-yl)ethane-1,2-diamine

N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(tetrazolo[1,5-a]pyrazin-8-yl)ethane-1,2-diamine (PubChem CID 167838716) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(tetrazolo[1,5-a]pyrazin-8-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(tetrazolo[1,5-a]pyrazin-8-yl)ethane-1,2-diamine
PubChem CID167838716
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC NameN'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(tetrazolo[1,5-a]pyrazin-8-yl)ethane-1,2-diamine
SMILESCOc1ccc(CN(C)CCNc2nccn3nnnc23)cc1
InChIInChI=1S/C15H19N7O/c1-21(11-12-3-5-13(23-2)6-4-12)9-7-16-14-15-18-19-20-22(15)10-8-17-14/h3-6,8,10H,7,9,11H2,1-2H3,(H,16,17)
InChIKeyJOKWQTOERDVCAK-UHFFFAOYSA-N
XLogP1.07
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(tetrazolo[1,5-a]pyrazin-8-yl)ethane-1,2-diamine?
The IUPAC name of N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(tetrazolo[1,5-a]pyrazin-8-yl)ethane-1,2-diamine (CID 167838716) is N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(tetrazolo[1,5-a]pyrazin-8-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(tetrazolo[1,5-a]pyrazin-8-yl)ethane-1,2-diamine?
The canonical SMILES for N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(tetrazolo[1,5-a]pyrazin-8-yl)ethane-1,2-diamine is COc1ccc(CN(C)CCNc2nccn3nnnc23)cc1.
What is the InChIKey of N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(tetrazolo[1,5-a]pyrazin-8-yl)ethane-1,2-diamine?
The InChIKey is JOKWQTOERDVCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-21(11-12-3-5-13(23-2)6-4-12)9-7-16-14-15-18-19-20-22(15)10-8-17-14/h3-6,8,10H,7,9,11H2,1-2H3,(H,16,17).
What are the key properties of N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(tetrazolo[1,5-a]pyrazin-8-yl)ethane-1,2-diamine?
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(tetrazolo[1,5-a]pyrazin-8-yl)ethane-1,2-diamine has a molecular weight of 313.37 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(tetrazolo[1,5-a]pyrazin-8-yl)ethane-1,2-diamine is sourced from PubChem (CID 167838716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).