1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine

C17H20N6O — CID 135099921

IUPAC1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
SMILESc1ccc(CN(Cc2nc3ncccn3n2)CC2CCCO2)nc1
InChIInChI=1S/C17H20N6O/c1-2-7-18-14(5-1)11-22(12-15-6-3-10-24-15)13-16-20-17-19-8-4-9-23(17)21-16/h1-2,4-5,7-9,15H,3,6,10-13H2
InChIKeyKXGJVMOELZREKS-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.70
Rot. Bonds6

About 1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine

1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine (PubChem CID 135099921) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
PubChem CID135099921
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
SMILESc1ccc(CN(Cc2nc3ncccn3n2)CC2CCCO2)nc1
InChIInChI=1S/C17H20N6O/c1-2-7-18-14(5-1)11-22(12-15-6-3-10-24-15)13-16-20-17-19-8-4-9-23(17)21-16/h1-2,4-5,7-9,15H,3,6,10-13H2
InChIKeyKXGJVMOELZREKS-UHFFFAOYSA-N
XLogP1.70
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
N-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 46983238
N-[(2-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95275137
N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 45235431
N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 92614286
3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46982503
N-[(1-ethylindol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 99929466
3,5-dimethyl-2-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyridin-4-one
CID 135112625
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 42522163
N-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 45177571
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 46979426
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 92614504

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine (CID 135099921) is 1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine is c1ccc(CN(Cc2nc3ncccn3n2)CC2CCCO2)nc1.
What is the InChIKey of 1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine?
The InChIKey is KXGJVMOELZREKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-2-7-18-14(5-1)11-22(12-15-6-3-10-24-15)13-16-20-17-19-8-4-9-23(17)21-16/h1-2,4-5,7-9,15H,3,6,10-13H2.
What are the key properties of 1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine?
1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine has a molecular weight of 324.39 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine is sourced from PubChem (CID 135099921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).