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

C11H18N8 — CID 106106821

IUPAC2-N,2-N-dimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(NCCc2ccn(C)n2)n1
InChIInChI=1S/C11H18N8/c1-18(2)11-15-9(12)14-10(16-11)13-6-4-8-5-7-19(3)17-8/h5,7H,4,6H2,1-3H3,(H3,12,13,14,15,16)
InChIKeyZQBWKPRBRRTEQD-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.09
Rot. Bonds5

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

2-N,2-N-dimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 106106821) has the molecular formula C11H18N8 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID106106821
Molecular FormulaC11H18N8
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Name2-N,2-N-dimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(NCCc2ccn(C)n2)n1
InChIInChI=1S/C11H18N8/c1-18(2)11-15-9(12)14-10(16-11)13-6-4-8-5-7-19(3)17-8/h5,7H,4,6H2,1-3H3,(H3,12,13,14,15,16)
InChIKeyZQBWKPRBRRTEQD-UHFFFAOYSA-N
XLogP-0.09
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N,2-N-dimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-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-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80854271
2-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 106106863
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-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80853556
4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 80797100
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-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2,6-diamine
CID 104626530
6-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,6-diamine
CID 106106717
4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106106748
2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80816988
2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106106755
6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 114143853

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine (CID 106106821) is 2-N,2-N-dimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(NCCc2ccn(C)n2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZQBWKPRBRRTEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N8/c1-18(2)11-15-9(12)14-10(16-11)13-6-4-8-5-7-19(3)17-8/h5,7H,4,6H2,1-3H3,(H3,12,13,14,15,16).
What are the key properties of 2-N,2-N-dimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-dimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 262.32 g/mol, XLogP of -0.09, 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-dimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 106106821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).