N-methyl-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholin-3-yl]methanamine

C12H18N6O — CID 83105530

IUPACN-methyl-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholin-3-yl]methanamine
SMILESCNCC1COCCN1c1nccn2c(C)nnc12
InChIInChI=1S/C12H18N6O/c1-9-15-16-12-11(14-3-4-17(9)12)18-5-6-19-8-10(18)7-13-2/h3-4,10,13H,5-8H2,1-2H3
InChIKeyMOXBUOILABWHFA-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.14
Rot. Bonds3

About N-methyl-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholin-3-yl]methanamine

N-methyl-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholin-3-yl]methanamine (PubChem CID 83105530) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-methyl-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholin-3-yl]methanamine
PubChem CID83105530
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-methyl-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholin-3-yl]methanamine
SMILESCNCC1COCCN1c1nccn2c(C)nnc12
InChIInChI=1S/C12H18N6O/c1-9-15-16-12-11(14-3-4-17(9)12)18-5-6-19-8-10(18)7-13-2/h3-4,10,13H,5-8H2,1-2H3
InChIKeyMOXBUOILABWHFA-UHFFFAOYSA-N
XLogP-0.14
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(3,6-dimethylpyrazin-2-yl)morpholin-3-yl]-N-methylmethanamine
CID 83104328
N-methyl-1-[4-(4-methyl-2-pyridinyl)morpholin-3-yl]methanamine
CID 83104606
8-(2,5-diethylpiperazin-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 64979253
N-methyl-1-[4-(6-methylpyrimidin-4-yl)morpholin-3-yl]methanamine
CID 83105368
2-(bromomethyl)-5-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholine
CID 81209530
1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-3-yl]-N-methylmethanamine
CID 83105634
N-methyl-1-[4-(6-methyl-2-pyridinyl)morpholin-3-yl]methanamine
CID 83105038
N-methyl-1-[4-(1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
CID 83105624
N-methyl-1-[4-(3-methylquinolin-2-yl)morpholin-3-yl]methanamine
CID 83105040
N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholin-4-amine
CID 83025883
1-propyl-3-[3-(propylaminomethyl)morpholin-4-yl]pyrazin-2-one
CID 83105741
N-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
CID 83105942

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholin-3-yl]methanamine (CID 83105530) is N-methyl-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholin-3-yl]methanamine is CNCC1COCCN1c1nccn2c(C)nnc12.
What is the InChIKey of N-methyl-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholin-3-yl]methanamine?
The InChIKey is MOXBUOILABWHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-9-15-16-12-11(14-3-4-17(9)12)18-5-6-19-8-10(18)7-13-2/h3-4,10,13H,5-8H2,1-2H3.
What are the key properties of N-methyl-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholin-3-yl]methanamine?
N-methyl-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholin-3-yl]methanamine has a molecular weight of 262.32 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholin-3-yl]methanamine is sourced from PubChem (CID 83105530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).