methanol;bis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine)

C17H20N12O — CID 139144273

IUPACmethanol;bis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine)
SMILESCO.Nc1nc(N)nc(-c2ccncc2)n1.Nc1nc(N)nc(-c2ccncc2)n1
InChIInChI=1S/2C8H8N6.CH4O/c2*9-7-12-6(13-8(10)14-7)5-1-3-11-4-2-5;1-2/h2*1-4H,(H4,9,10,12,13,14);2H,1H3
InChIKeyPONUDCNOADZZCX-UHFFFAOYSA-N
MW408.43 g/mol
LogP-0.20
Rot. Bonds2

About methanol;bis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine)

methanol;bis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine) (PubChem CID 139144273) has the molecular formula C17H20N12O and a molecular weight of 408.43 g/mol. Its IUPAC name is methanol;bis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine).

Molecular Properties

Compound Namemethanol;bis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine)
PubChem CID139144273
Molecular FormulaC17H20N12O
Molecular Weight408.43 g/mol
Exact Mass408.19
IUPAC Namemethanol;bis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine)
SMILESCO.Nc1nc(N)nc(-c2ccncc2)n1.Nc1nc(N)nc(-c2ccncc2)n1
InChIInChI=1S/2C8H8N6.CH4O/c2*9-7-12-6(13-8(10)14-7)5-1-3-11-4-2-5;1-2/h2*1-4H,(H4,9,10,12,13,14);2H,1H3
InChIKeyPONUDCNOADZZCX-UHFFFAOYSA-N
XLogP-0.20
TPSA227.43 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.43
LogP ≤ 5-0.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

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Related Compounds

s-Triazine, 2-amino-4-piperidino-6-(3-pyridyl)-
CID 207459
2,4,6-Tris(4-pyridyl)-1,3,5-triazine
CID 317666
5-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyridin-2-amine
CID 58508310
4-(4-Methylpiperazin-1-yl)-6-(pyridin-4-yl)-1,3,5-triazin-2-amine (15)
CID 121238071
6-(4-Pyridyl)-1,3,5-triazine-2,4-diamine
CID 99551
2-Amino-4,6-bis(3-pyridyl)-1,3,5-triazine
CID 619434
4-(4-Methylpiperazin-1-yl)-6-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine
CID 137655693
1,3,5-Triazin-2-amine, 4-methoxy-6-(4-pyridinyl)-
CID 199946
4-(Pyridin-4-yl)-1,3,5-triazin-2-amine
CID 14977275
2,4,6-Tris(3-(3-pyridyl)phenyl)-1,3,5-triazine
CID 101523658
2-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine
CID 97389777
2,4-Dimethyl-6-pyridin-4-yl-1,3,5-triazine
CID 12273518

Frequently Asked Questions

What is the IUPAC name of methanol;bis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine)?
The IUPAC name of methanol;bis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine) (CID 139144273) is methanol;bis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine).
What is the SMILES notation for methanol;bis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine)?
The canonical SMILES for methanol;bis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine) is CO.Nc1nc(N)nc(-c2ccncc2)n1.Nc1nc(N)nc(-c2ccncc2)n1.
What is the InChIKey of methanol;bis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine)?
The InChIKey is PONUDCNOADZZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8N6.CH4O/c2*9-7-12-6(13-8(10)14-7)5-1-3-11-4-2-5;1-2/h2*1-4H,(H4,9,10,12,13,14);2H,1H3.
What are the key properties of methanol;bis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine)?
methanol;bis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine) has a molecular weight of 408.43 g/mol, XLogP of -0.20, 2 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;bis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine) is sourced from PubChem (CID 139144273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).