N,N,N',N'-tetrakis(pyrazin-2-ylmethyl)propane-1,3-diamine

C23H26N10 — CID 71362661

IUPACN,N,N',N'-tetrakis(pyrazin-2-ylmethyl)propane-1,3-diamine
SMILESc1cnc(CN(CCCN(Cc2cnccn2)Cc2cnccn2)Cc2cnccn2)cn1
InChIInChI=1S/C23H26N10/c1(10-32(16-20-12-24-2-6-28-20)17-21-13-25-3-7-29-21)11-33(18-22-14-26-4-8-30-22)19-23-15-27-5-9-31-23/h2-9,12-15H,1,10-11,16-19H2
InChIKeyZZIXKYDMJXOJRE-UHFFFAOYSA-N
MW442.53 g/mol
LogP1.94
Rot. Bonds12

About N,N,N',N'-tetrakis(pyrazin-2-ylmethyl)propane-1,3-diamine

N,N,N',N'-tetrakis(pyrazin-2-ylmethyl)propane-1,3-diamine (PubChem CID 71362661) has the molecular formula C23H26N10 and a molecular weight of 442.53 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(pyrazin-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(pyrazin-2-ylmethyl)propane-1,3-diamine
PubChem CID71362661
Molecular FormulaC23H26N10
Molecular Weight442.53 g/mol
Exact Mass442.23
IUPAC NameN,N,N',N'-tetrakis(pyrazin-2-ylmethyl)propane-1,3-diamine
SMILESc1cnc(CN(CCCN(Cc2cnccn2)Cc2cnccn2)Cc2cnccn2)cn1
InChIInChI=1S/C23H26N10/c1(10-32(16-20-12-24-2-6-28-20)17-21-13-25-3-7-29-21)11-33(18-22-14-26-4-8-30-22)19-23-15-27-5-9-31-23/h2-9,12-15H,1,10-11,16-19H2
InChIKeyZZIXKYDMJXOJRE-UHFFFAOYSA-N
XLogP1.94
TPSA109.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(pyrazin-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,N,N',N'-tetrakis(pyrazin-2-ylmethyl)propane-1,3-diamine (CID 71362661) is N,N,N',N'-tetrakis(pyrazin-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,N,N',N'-tetrakis(pyrazin-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,N,N',N'-tetrakis(pyrazin-2-ylmethyl)propane-1,3-diamine is c1cnc(CN(CCCN(Cc2cnccn2)Cc2cnccn2)Cc2cnccn2)cn1.
What is the InChIKey of N,N,N',N'-tetrakis(pyrazin-2-ylmethyl)propane-1,3-diamine?
The InChIKey is ZZIXKYDMJXOJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N10/c1(10-32(16-20-12-24-2-6-28-20)17-21-13-25-3-7-29-21)11-33(18-22-14-26-4-8-30-22)19-23-15-27-5-9-31-23/h2-9,12-15H,1,10-11,16-19H2.
What are the key properties of N,N,N',N'-tetrakis(pyrazin-2-ylmethyl)propane-1,3-diamine?
N,N,N',N'-tetrakis(pyrazin-2-ylmethyl)propane-1,3-diamine has a molecular weight of 442.53 g/mol, XLogP of 1.94, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(pyrazin-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 71362661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).