2-methyl-4-(4-methylpiperazin-1-yl)-1,3,5-triazine

C9H15N5 — CID 54225036

IUPAC2-methyl-4-(4-methylpiperazin-1-yl)-1,3,5-triazine
SMILESCc1ncnc(N2CCN(C)CC2)n1
InChIInChI=1S/C9H15N5/c1-8-10-7-11-9(12-8)14-5-3-13(2)4-6-14/h7H,3-6H2,1-2H3
InChIKeyRIAWWACNBTULII-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.07
Rot. Bonds1

About 2-methyl-4-(4-methylpiperazin-1-yl)-1,3,5-triazine

2-methyl-4-(4-methylpiperazin-1-yl)-1,3,5-triazine (PubChem CID 54225036) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpiperazin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4-(4-methylpiperazin-1-yl)-1,3,5-triazine
PubChem CID54225036
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name2-methyl-4-(4-methylpiperazin-1-yl)-1,3,5-triazine
SMILESCc1ncnc(N2CCN(C)CC2)n1
InChIInChI=1S/C9H15N5/c1-8-10-7-11-9(12-8)14-5-3-13(2)4-6-14/h7H,3-6H2,1-2H3
InChIKeyRIAWWACNBTULII-UHFFFAOYSA-N
XLogP-0.07
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-1,3,5-triazine (CID 54225036) is 2-methyl-4-(4-methylpiperazin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4-(4-methylpiperazin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-methyl-4-(4-methylpiperazin-1-yl)-1,3,5-triazine is Cc1ncnc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-methyl-4-(4-methylpiperazin-1-yl)-1,3,5-triazine?
The InChIKey is RIAWWACNBTULII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-8-10-7-11-9(12-8)14-5-3-13(2)4-6-14/h7H,3-6H2,1-2H3.
What are the key properties of 2-methyl-4-(4-methylpiperazin-1-yl)-1,3,5-triazine?
2-methyl-4-(4-methylpiperazin-1-yl)-1,3,5-triazine has a molecular weight of 193.25 g/mol, XLogP of -0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpiperazin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 54225036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).