[(2R)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-methylpiperazin-2-yl]methanol

C11H19N5O — CID 164640080

IUPAC[(2R)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-methylpiperazin-2-yl]methanol
SMILESCc1nnc(N2CCN(C)[C@@H](CO)C2)nc1C
InChIInChI=1S/C11H19N5O/c1-8-9(2)13-14-11(12-8)16-5-4-15(3)10(6-16)7-17/h10,17H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyBGPLGMIJFZDKMS-SNVBAGLBSA-N
MW237.31 g/mol
LogP-0.40
Rot. Bonds2

About [(2R)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-methylpiperazin-2-yl]methanol

[(2R)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-methylpiperazin-2-yl]methanol (PubChem CID 164640080) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is [(2R)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-methylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-methylpiperazin-2-yl]methanol
PubChem CID164640080
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name[(2R)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-methylpiperazin-2-yl]methanol
SMILESCc1nnc(N2CCN(C)[C@@H](CO)C2)nc1C
InChIInChI=1S/C11H19N5O/c1-8-9(2)13-14-11(12-8)16-5-4-15(3)10(6-16)7-17/h10,17H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyBGPLGMIJFZDKMS-SNVBAGLBSA-N
XLogP-0.40
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-methylpiperazin-2-yl]methanol?
The IUPAC name of [(2R)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-methylpiperazin-2-yl]methanol (CID 164640080) is [(2R)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-methylpiperazin-2-yl]methanol.
What is the SMILES notation for [(2R)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-methylpiperazin-2-yl]methanol?
The canonical SMILES for [(2R)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-methylpiperazin-2-yl]methanol is Cc1nnc(N2CCN(C)[C@@H](CO)C2)nc1C.
What is the InChIKey of [(2R)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-methylpiperazin-2-yl]methanol?
The InChIKey is BGPLGMIJFZDKMS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8-9(2)13-14-11(12-8)16-5-4-15(3)10(6-16)7-17/h10,17H,4-7H2,1-3H3/t10-/m1/s1.
What are the key properties of [(2R)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-methylpiperazin-2-yl]methanol?
[(2R)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-methylpiperazin-2-yl]methanol has a molecular weight of 237.31 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-methylpiperazin-2-yl]methanol is sourced from PubChem (CID 164640080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).