4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine

C12H17N7 — CID 7589444

IUPAC4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC)nc(Nc2cccnc2)n1
InChIInChI=1S/C12H17N7/c1-3-14-10-17-11(15-4-2)19-12(18-10)16-9-6-5-7-13-8-9/h5-8H,3-4H2,1-2H3,(H3,14,15,16,17,18,19)
InChIKeyVCIVFBUXQAYGFT-UHFFFAOYSA-N
MW259.32 g/mol
LogP1.87
Rot. Bonds6

About 4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine

4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 7589444) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID7589444
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC)nc(Nc2cccnc2)n1
InChIInChI=1S/C12H17N7/c1-3-14-10-17-11(15-4-2)19-12(18-10)16-9-6-5-7-13-8-9/h5-8H,3-4H2,1-2H3,(H3,14,15,16,17,18,19)
InChIKeyVCIVFBUXQAYGFT-UHFFFAOYSA-N
XLogP1.87
TPSA87.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
CID 117092308
6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884
6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 80768818
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361
N-pyridin-3-ylpyrimidin-2-amine
CID 11593513
6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
CID 117093191
6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 53418673
N-methyl-N'-pyridin-3-ylmethanediamine
CID 115226589
2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine
CID 102301037
2-N-(3,4-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589382
2-(pyridin-3-ylamino)acetonitrile
CID 24972763
N-(2-methylbutyl)pyridin-3-amine
CID 43200734

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine (CID 7589444) is 4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine is CCNc1nc(NCC)nc(Nc2cccnc2)n1.
What is the InChIKey of 4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VCIVFBUXQAYGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-3-14-10-17-11(15-4-2)19-12(18-10)16-9-6-5-7-13-8-9/h5-8H,3-4H2,1-2H3,(H3,14,15,16,17,18,19).
What are the key properties of 4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine?
4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 259.32 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 7589444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).