N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine

C15H18N6O2 — CID 112945921

IUPACN-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESCN1CCN(c2cnnc(Nc3ccc4c(c3)OCO4)n2)CC1
InChIInChI=1S/C15H18N6O2/c1-20-4-6-21(7-5-20)14-9-16-19-15(18-14)17-11-2-3-12-13(8-11)23-10-22-12/h2-3,8-9H,4-7,10H2,1H3,(H,17,18,19)
InChIKeyFOLBMCHMJTVOEV-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.10
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine

N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112945921) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112945921
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESCN1CCN(c2cnnc(Nc3ccc4c(c3)OCO4)n2)CC1
InChIInChI=1S/C15H18N6O2/c1-20-4-6-21(7-5-20)14-9-16-19-15(18-14)17-11-2-3-12-13(8-11)23-10-22-12/h2-3,8-9H,4-7,10H2,1H3,(H,17,18,19)
InChIKeyFOLBMCHMJTVOEV-UHFFFAOYSA-N
XLogP1.10
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112955510
N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945868
5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine
CID 112945843
N-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945917
3-N-(1,3-benzodioxol-5-yl)-5-N-butan-2-yl-1,2,4-triazine-3,5-diamine
CID 112940816
5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chloro-4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112966583
5-N-(1,3-benzodioxol-5-yl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961708
3-N-(1,3-benzodioxol-5-yl)-5-N-(4-tert-butylphenyl)-1,2,4-triazine-3,5-diamine
CID 112965305
N-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112922222
N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941132
N-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941832
N-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112924003

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine (CID 112945921) is N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine is CN1CCN(c2cnnc(Nc3ccc4c(c3)OCO4)n2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is FOLBMCHMJTVOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-20-4-6-21(7-5-20)14-9-16-19-15(18-14)17-11-2-3-12-13(8-11)23-10-22-12/h2-3,8-9H,4-7,10H2,1H3,(H,17,18,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine?
N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 314.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112945921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).