2-N,2-N,6-N-trimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine

C13H22N8 — CID 80835200

IUPAC2-N,2-N,6-N-trimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NCc2c(C)nn(C)c2C)nc(N(C)C)n1
InChIInChI=1S/C13H22N8/c1-8-10(9(2)21(6)19-8)7-15-12-16-11(14-3)17-13(18-12)20(4)5/h7H2,1-6H3,(H2,14,15,16,17,18)
InChIKeyQUZWDGRGNUIRJA-UHFFFAOYSA-N
MW290.38 g/mol
LogP0.94
Rot. Bonds5

About 2-N,2-N,6-N-trimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine

2-N,2-N,6-N-trimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 80835200) has the molecular formula C13H22N8 and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-N,2-N,6-N-trimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,6-N-trimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID80835200
Molecular FormulaC13H22N8
Molecular Weight290.38 g/mol
Exact Mass290.20
IUPAC Name2-N,2-N,6-N-trimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NCc2c(C)nn(C)c2C)nc(N(C)C)n1
InChIInChI=1S/C13H22N8/c1-8-10(9(2)21(6)19-8)7-15-12-16-11(14-3)17-13(18-12)20(4)5/h7H2,1-6H3,(H2,14,15,16,17,18)
InChIKeyQUZWDGRGNUIRJA-UHFFFAOYSA-N
XLogP0.94
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N,2-N,6-N-trimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

6-N,5-dimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80848886
2-N,2-N,6-N-trimethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 106411601
2-N,2-N,6-N-trimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80829386
4-N-[2-(dimethylamino)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80770283
2-N,2-N-dimethyl-5-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 43690392
4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 78995441
5-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 79556372
2-N,2-N,6-N-trimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80821942
2-N,2-N,6-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80807387
6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80959085
4-N-[2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 130243747
5-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120971025

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N-trimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,6-N-trimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine (CID 80835200) is 2-N,2-N,6-N-trimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,6-N-trimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,6-N-trimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine is CNc1nc(NCc2c(C)nn(C)c2C)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N,6-N-trimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is QUZWDGRGNUIRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N8/c1-8-10(9(2)21(6)19-8)7-15-12-16-11(14-3)17-13(18-12)20(4)5/h7H2,1-6H3,(H2,14,15,16,17,18).
What are the key properties of 2-N,2-N,6-N-trimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,6-N-trimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 290.38 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N-trimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80835200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).