6-pyridin-3-yl-1,3,5-triazine-2,4-diamine

C16H16N12 — CID 139144274

IUPAC6-pyridin-3-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2cccnc2)n1.Nc1nc(N)nc(-c2cccnc2)n1
InChIInChI=1S/2C8H8N6/c2*9-7-12-6(13-8(10)14-7)5-2-1-3-11-4-5/h2*1-4H,(H4,9,10,12,13,14)
InChIKeyPPQYEUUPMOZWRM-UHFFFAOYSA-N
MW376.39 g/mol
LogP0.20
Rot. Bonds2

About 6-pyridin-3-yl-1,3,5-triazine-2,4-diamine

6-pyridin-3-yl-1,3,5-triazine-2,4-diamine (PubChem CID 139144274) has the molecular formula C16H16N12 and a molecular weight of 376.39 g/mol. Its IUPAC name is 6-pyridin-3-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-pyridin-3-yl-1,3,5-triazine-2,4-diamine
PubChem CID139144274
Molecular FormulaC16H16N12
Molecular Weight376.39 g/mol
Exact Mass376.16
IUPAC Name6-pyridin-3-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2cccnc2)n1.Nc1nc(N)nc(-c2cccnc2)n1
InChIInChI=1S/2C8H8N6/c2*9-7-12-6(13-8(10)14-7)5-2-1-3-11-4-5/h2*1-4H,(H4,9,10,12,13,14)
InChIKeyPPQYEUUPMOZWRM-UHFFFAOYSA-N
XLogP0.20
TPSA207.20 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.39
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-pyridin-3-yl-1,3,5-triazine-2,4-diamine (CID 139144274) is 6-pyridin-3-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-pyridin-3-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-pyridin-3-yl-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2cccnc2)n1.Nc1nc(N)nc(-c2cccnc2)n1.
What is the InChIKey of 6-pyridin-3-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is PPQYEUUPMOZWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8N6/c2*9-7-12-6(13-8(10)14-7)5-2-1-3-11-4-5/h2*1-4H,(H4,9,10,12,13,14).
What are the key properties of 6-pyridin-3-yl-1,3,5-triazine-2,4-diamine?
6-pyridin-3-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 376.39 g/mol, XLogP of 0.20, 2 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 139144274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).