N-methyl-N,N',N'-tris(pyrazin-2-ylmethyl)ethane-1,2-diamine

C18H22N8 — CID 58225632

IUPACN-methyl-N,N',N'-tris(pyrazin-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CCN(Cc1cnccn1)Cc1cnccn1)Cc1cnccn1
InChIInChI=1S/C18H22N8/c1-25(13-16-10-19-2-5-22-16)8-9-26(14-17-11-20-3-6-23-17)15-18-12-21-4-7-24-18/h2-7,10-12H,8-9,13-15H2,1H3
InChIKeyGQWNFANNCGCZPK-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.19
Rot. Bonds9

About N-methyl-N,N',N'-tris(pyrazin-2-ylmethyl)ethane-1,2-diamine

N-methyl-N,N',N'-tris(pyrazin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 58225632) has the molecular formula C18H22N8 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-methyl-N,N',N'-tris(pyrazin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N,N',N'-tris(pyrazin-2-ylmethyl)ethane-1,2-diamine
PubChem CID58225632
Molecular FormulaC18H22N8
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC NameN-methyl-N,N',N'-tris(pyrazin-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CCN(Cc1cnccn1)Cc1cnccn1)Cc1cnccn1
InChIInChI=1S/C18H22N8/c1-25(13-16-10-19-2-5-22-16)8-9-26(14-17-11-20-3-6-23-17)15-18-12-21-4-7-24-18/h2-7,10-12H,8-9,13-15H2,1H3
InChIKeyGQWNFANNCGCZPK-UHFFFAOYSA-N
XLogP1.19
TPSA83.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N,N',N'-tris(pyrazin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N,N',N'-tris(pyrazin-2-ylmethyl)ethane-1,2-diamine (CID 58225632) is N-methyl-N,N',N'-tris(pyrazin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N,N',N'-tris(pyrazin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N,N',N'-tris(pyrazin-2-ylmethyl)ethane-1,2-diamine is CN(CCN(Cc1cnccn1)Cc1cnccn1)Cc1cnccn1.
What is the InChIKey of N-methyl-N,N',N'-tris(pyrazin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is GQWNFANNCGCZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8/c1-25(13-16-10-19-2-5-22-16)8-9-26(14-17-11-20-3-6-23-17)15-18-12-21-4-7-24-18/h2-7,10-12H,8-9,13-15H2,1H3.
What are the key properties of N-methyl-N,N',N'-tris(pyrazin-2-ylmethyl)ethane-1,2-diamine?
N-methyl-N,N',N'-tris(pyrazin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 350.43 g/mol, XLogP of 1.19, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,N',N'-tris(pyrazin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 58225632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).