N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C15H16FN5O — CID 71985422

IUPACN-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(N(C)CCOc3cccc(F)c3)nccn12
InChIInChI=1S/C15H16FN5O/c1-11-18-19-15-14(17-6-7-21(11)15)20(2)8-9-22-13-5-3-4-12(16)10-13/h3-7,10H,8-9H2,1-2H3
InChIKeyMNTXMLGKQNBXBX-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.09
Rot. Bonds5

About N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 71985422) has the molecular formula C15H16FN5O and a molecular weight of 301.33 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID71985422
Molecular FormulaC15H16FN5O
Molecular Weight301.33 g/mol
Exact Mass301.13
IUPAC NameN-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(N(C)CCOc3cccc(F)c3)nccn12
InChIInChI=1S/C15H16FN5O/c1-11-18-19-15-14(17-6-7-21(11)15)20(2)8-9-22-13-5-3-4-12(16)10-13/h3-7,10H,8-9H2,1-2H3
InChIKeyMNTXMLGKQNBXBX-UHFFFAOYSA-N
XLogP2.09
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(2-Methoxyphenyl)ethoxy]-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 137348670
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine
CID 47053112
1-[2-(2-Fluorophenoxy)ethyl]-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 53569975
(7R,8aS)-7-(3-fluorophenoxy)-2-[(1-methylimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97458462
1-ethyl-5-[1-(2-phenoxyethyl)-1H-imidazol-2-yl]-1H-1,2,4-triazole
CID 56870809
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 95772776
(7S,8aS)-7-(3-fluorophenoxy)-2-[(1-methylimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 125184963
2-(2-fluorophenoxy)-N-(2-methoxyethyl)-N-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}ethanamine
CID 131950290
8-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
CID 136582369
(3S)-3-(2-ethylimidazol-1-yl)-1-[2-(2-fluorophenoxy)ethyl]piperidine
CID 171357559
(3S)-3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine
CID 171358044
2-[(4-Fluorophenoxy)methyl]-1-methylimidazole
CID 60773600

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 71985422) is N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Cc1nnc2c(N(C)CCOc3cccc(F)c3)nccn12.
What is the InChIKey of N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is MNTXMLGKQNBXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c1-11-18-19-15-14(17-6-7-21(11)15)20(2)8-9-22-13-5-3-4-12(16)10-13/h3-7,10H,8-9H2,1-2H3.
What are the key properties of N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 301.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 71985422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).