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

C46H52N20 — CID 139130385

IUPACN,N,N',N'-tetrakis(pyrazin-2-ylmethyl)propane-1,3-diamine
SMILESc1cnc(CN(CCCN(Cc2cnccn2)Cc2cnccn2)Cc2cnccn2)cn1.c1cnc(CN(CCCN(Cc2cnccn2)Cc2cnccn2)Cc2cnccn2)cn1
InChIInChI=1S/2C23H26N10/c2*1(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*2-9,12-15H,1,10-11,16-19H2
InChIKeyBTUUFRFSFIISGQ-UHFFFAOYSA-N
MW885.06 g/mol
LogP3.88
Rot. Bonds24

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 139130385) has the molecular formula C46H52N20 and a molecular weight of 885.06 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 CID139130385
Molecular FormulaC46H52N20
Molecular Weight885.06 g/mol
Exact Mass884.47
IUPAC NameN,N,N',N'-tetrakis(pyrazin-2-ylmethyl)propane-1,3-diamine
SMILESc1cnc(CN(CCCN(Cc2cnccn2)Cc2cnccn2)Cc2cnccn2)cn1.c1cnc(CN(CCCN(Cc2cnccn2)Cc2cnccn2)Cc2cnccn2)cn1
InChIInChI=1S/2C23H26N10/c2*1(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*2-9,12-15H,1,10-11,16-19H2
InChIKeyBTUUFRFSFIISGQ-UHFFFAOYSA-N
XLogP3.88
TPSA219.20 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.06
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N,N',N'-tetrakis(pyrazin-2-ylmethyl)ethane-1,2-diamine
CID 58225637
1-(Pyrazin-2-yl)-N,N-bis[(pyrazin-2-yl)methyl]methanamine
CID 71358186
trans-(1R,2R)-1-N,1-N,2-N,2-N-tetrakis(pyrazin-2-ylmethyl)cyclohexane-1,2-diamine
CID 91256480
1,4,7,10-Tetrakis(2-pyrazinylmethyl)-1,4,7,10-tetraazacyclododecane
CID 118536913
N1,N1,N3,N3-tetrakis((pyrazin-2-yl)methyl)propane-1,3-diamine
CID 71362661
trans-(1S,2S)-1-N,1-N,2-N,2-N-tetrakis(pyrazin-2-ylmethyl)cyclohexane-1,2-diamine
CID 101219199
Diaquabis(2,6-dimethylpyrazine-kappaN)bis(thiocyanato-kappaN)cobalt(II) 2,5-dimethylpyrazine trisolvate
CID 168327104
N-methyl-N,N',N'-tris(pyrazin-2-ylmethyl)ethane-1,2-diamine
CID 58225632
2-Methylpyrazine;pyrazine
CID 66589511
CID 158247591
CID 158247591
1,4,7,10-Tetrakis(piperidin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane;1,4,7,10-tetrakis(pyrazin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 160643665
Pentakis(2,3,5,6-tetramethylpyrazine);tetrakis(2,3,5-trimethylpyrazine)
CID 160950037

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 139130385) 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.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 BTUUFRFSFIISGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H26N10/c2*1(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*2-9,12-15H,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 885.06 g/mol, XLogP of 3.88, 24 rotatable bonds, 0 hydrogen bond donors, and 20 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 139130385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).