2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]methyl]-2-methylpropane-1,3-diol

C13H21N5O2 — CID 133381023

IUPAC2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]methyl]-2-methylpropane-1,3-diol
SMILESCc1nc2ncnn2c(N(C)CC(C)(CO)CO)c1C
InChIInChI=1S/C13H21N5O2/c1-9-10(2)16-12-14-8-15-18(12)11(9)17(4)5-13(3,6-19)7-20/h8,19-20H,5-7H2,1-4H3
InChIKeyPPUBDFIKZZKMGQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.17
Rot. Bonds5

About 2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]methyl]-2-methylpropane-1,3-diol

2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]methyl]-2-methylpropane-1,3-diol (PubChem CID 133381023) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]methyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]methyl]-2-methylpropane-1,3-diol
PubChem CID133381023
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]methyl]-2-methylpropane-1,3-diol
SMILESCc1nc2ncnn2c(N(C)CC(C)(CO)CO)c1C
InChIInChI=1S/C13H21N5O2/c1-9-10(2)16-12-14-8-15-18(12)11(9)17(4)5-13(3,6-19)7-20/h8,19-20H,5-7H2,1-4H3
InChIKeyPPUBDFIKZZKMGQ-UHFFFAOYSA-N
XLogP0.17
TPSA86.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]methyl]-2-methylpropane-1,3-diol with MolForge

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Related Compounds

1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-2-ol
CID 103076772
N-[[3-(dimethylamino)phenyl]methyl]-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133385828
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 163344652
N,5,6-trimethyl-N-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133423320
2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N,N-dimethylethanamine
CID 71921350
(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanol
CID 139369499
5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133487692
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 103076346
5-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076318
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133491662
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]ethanol
CID 103076298
N,N,5-trimethyl-6-(2,3,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 54419205

Frequently Asked Questions

What is the IUPAC name of 2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]methyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]methyl]-2-methylpropane-1,3-diol (CID 133381023) is 2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]methyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]methyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]methyl]-2-methylpropane-1,3-diol is Cc1nc2ncnn2c(N(C)CC(C)(CO)CO)c1C.
What is the InChIKey of 2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]methyl]-2-methylpropane-1,3-diol?
The InChIKey is PPUBDFIKZZKMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-9-10(2)16-12-14-8-15-18(12)11(9)17(4)5-13(3,6-19)7-20/h8,19-20H,5-7H2,1-4H3.
What are the key properties of 2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]methyl]-2-methylpropane-1,3-diol?
2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]methyl]-2-methylpropane-1,3-diol has a molecular weight of 279.34 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]methyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 133381023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).