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

C10H16N8 — CID 80816988

IUPAC2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(NCc2cnn(C)c2)n1
InChIInChI=1S/C10H16N8/c1-17(2)10-15-8(11)14-9(16-10)12-4-7-5-13-18(3)6-7/h5-6H,4H2,1-3H3,(H3,11,12,14,15,16)
InChIKeyRAASVKWTYSGWGX-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.13
Rot. Bonds4

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

2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 80816988) has the molecular formula C10H16N8 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID80816988
Molecular FormulaC10H16N8
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Name2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(NCc2cnn(C)c2)n1
InChIInChI=1S/C10H16N8/c1-17(2)10-15-8(11)14-9(16-10)12-4-7-5-13-18(3)6-7/h5-6H,4H2,1-3H3,(H3,11,12,14,15,16)
InChIKeyRAASVKWTYSGWGX-UHFFFAOYSA-N
XLogP-0.13
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-N,2-N-dimethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80853556
6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80816721
2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine
CID 61348476
2-N,2-N-dimethyl-6-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 42926111
2-N,2-N-dimethyl-4-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80828116
4-N-(cyclopenta-1,4-dien-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 158136349
2-N,2-N-dimethyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80854271
2-N,2-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 103012622
2-N,2-N-dimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 106106821
6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 79826024
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
2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 86795176

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine (CID 80816988) is 2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(NCc2cnn(C)c2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RAASVKWTYSGWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N8/c1-17(2)10-15-8(11)14-9(16-10)12-4-7-5-13-18(3)6-7/h5-6H,4H2,1-3H3,(H3,11,12,14,15,16).
What are the key properties of 2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 248.29 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80816988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).