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

C12H18N6O — CID 115663433

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCCN1CCOC(CNc2nccn3cnnc23)C1
InChIInChI=1S/C12H18N6O/c1-2-17-5-6-19-10(8-17)7-14-11-12-16-15-9-18(12)4-3-13-11/h3-4,9-10H,2,5-8H2,1H3,(H,13,14)
InChIKeyMQFGYILSSPDFBQ-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.26
Rot. Bonds4

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

N-[(4-ethylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 115663433) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID115663433
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCCN1CCOC(CNc2nccn3cnnc23)C1
InChIInChI=1S/C12H18N6O/c1-2-17-5-6-19-10(8-17)7-14-11-12-16-15-9-18(12)4-3-13-11/h3-4,9-10H,2,5-8H2,1H3,(H,13,14)
InChIKeyMQFGYILSSPDFBQ-UHFFFAOYSA-N
XLogP0.26
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-1-methylimidazol-2-amine
CID 114400676
2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
CID 115619041
N-[(4-ethylmorpholin-2-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 104695446
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660
3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile
CID 114399414
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine
CID 115693777
N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 113459925
6-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 103880098
N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 113353970
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine
CID 115681758
5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 114400346
4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine
CID 114400988

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 115663433) is N-[(4-ethylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CCN1CCOC(CNc2nccn3cnnc23)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is MQFGYILSSPDFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-2-17-5-6-19-10(8-17)7-14-11-12-16-15-9-18(12)4-3-13-11/h3-4,9-10H,2,5-8H2,1H3,(H,13,14).
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-[(4-ethylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 262.32 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 115663433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).