2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]morpholine

C12H17N5O — CID 79817912

IUPAC2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]morpholine
SMILESCc1cc2nnc(CC3CNCCO3)n2c(C)n1
InChIInChI=1S/C12H17N5O/c1-8-5-11-15-16-12(17(11)9(2)14-8)6-10-7-13-3-4-18-10/h5,10,13H,3-4,6-7H2,1-2H3
InChIKeyIIKRGZDWLXQQIY-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.27
Rot. Bonds2

About 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]morpholine

2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]morpholine (PubChem CID 79817912) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]morpholine
PubChem CID79817912
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]morpholine
SMILESCc1cc2nnc(CC3CNCCO3)n2c(C)n1
InChIInChI=1S/C12H17N5O/c1-8-5-11-15-16-12(17(11)9(2)14-8)6-10-7-13-3-4-18-10/h5,10,13H,3-4,6-7H2,1-2H3
InChIKeyIIKRGZDWLXQQIY-UHFFFAOYSA-N
XLogP0.27
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine
CID 66434028
2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]morpholine
CID 114469199
N,4-dimethyl-5-(morpholin-2-ylmethyl)-1,2,4-triazol-3-amine
CID 112597017
2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine
CID 66420976
2-[(6-methylnaphthalen-2-yl)methyl]morpholine
CID 116927898
N-(4,6-dimethylpyrimidin-2-yl)-2-morpholin-2-ylacetamide
CID 66433769
2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 66433751
5-methyl-2-(morpholin-2-ylmethyl)-1,3-benzoxazole
CID 66434043
2-[[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]morpholine
CID 116895639
(2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine
CID 170342980
2-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]morpholine
CID 66434375
2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine
CID 66434955

Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]morpholine?
The IUPAC name of 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]morpholine (CID 79817912) is 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]morpholine.
What is the SMILES notation for 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]morpholine?
The canonical SMILES for 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]morpholine is Cc1cc2nnc(CC3CNCCO3)n2c(C)n1.
What is the InChIKey of 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]morpholine?
The InChIKey is IIKRGZDWLXQQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-5-11-15-16-12(17(11)9(2)14-8)6-10-7-13-3-4-18-10/h5,10,13H,3-4,6-7H2,1-2H3.
What are the key properties of 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]morpholine?
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]morpholine has a molecular weight of 247.30 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]morpholine is sourced from PubChem (CID 79817912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).