N-[(2R)-2-(3-fluorophenoxy)butyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide

C17H22FN5O2 — CID 125131110

IUPACN-[(2R)-2-(3-fluorophenoxy)butyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide
SMILESCC[C@H](CNC(=O)N1CCn2nc(C)nc2C1)Oc1cccc(F)c1
InChIInChI=1S/C17H22FN5O2/c1-3-14(25-15-6-4-5-13(18)9-15)10-19-17(24)22-7-8-23-16(11-22)20-12(2)21-23/h4-6,9,14H,3,7-8,10-11H2,1-2H3,(H,19,24)/t14-/m1/s1
InChIKeyLMJOENIUSWNMBE-CQSZACIVSA-N
MW347.39 g/mol
LogP2.11
Rot. Bonds5

About N-[(2R)-2-(3-fluorophenoxy)butyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide

N-[(2R)-2-(3-fluorophenoxy)butyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide (PubChem CID 125131110) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[(2R)-2-(3-fluorophenoxy)butyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(3-fluorophenoxy)butyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide
PubChem CID125131110
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC NameN-[(2R)-2-(3-fluorophenoxy)butyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide
SMILESCC[C@H](CNC(=O)N1CCn2nc(C)nc2C1)Oc1cccc(F)c1
InChIInChI=1S/C17H22FN5O2/c1-3-14(25-15-6-4-5-13(18)9-15)10-19-17(24)22-7-8-23-16(11-22)20-12(2)21-23/h4-6,9,14H,3,7-8,10-11H2,1-2H3,(H,19,24)/t14-/m1/s1
InChIKeyLMJOENIUSWNMBE-CQSZACIVSA-N
XLogP2.11
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-fluorophenoxy)butyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111974572
N-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide
CID 97018596
N-[[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]methyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide
CID 124918146
N-ethyl-2-(3-fluorophenoxy)butan-1-amine
CID 62459043
1-[2-(3-fluorophenoxy)butyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 109475841
N-[(2R)-2-(3-fluorophenoxy)butyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 97255935
1-[2-(3-fluorophenoxy)butyl]-2-methyl-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 109475984
N-[(2R)-2-(3-fluorophenoxy)butyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97018614
N-[(2R)-2-(3-fluorophenoxy)butyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 97016414
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-[2-(3-fluorophenoxy)butyl]-2-methylguanidine;hydroiodide
CID 109476316
1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 109475597
1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea
CID 111974568

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3-fluorophenoxy)butyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(2R)-2-(3-fluorophenoxy)butyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide (CID 125131110) is N-[(2R)-2-(3-fluorophenoxy)butyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(2R)-2-(3-fluorophenoxy)butyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(2R)-2-(3-fluorophenoxy)butyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide is CC[C@H](CNC(=O)N1CCn2nc(C)nc2C1)Oc1cccc(F)c1.
What is the InChIKey of N-[(2R)-2-(3-fluorophenoxy)butyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is LMJOENIUSWNMBE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-3-14(25-15-6-4-5-13(18)9-15)10-19-17(24)22-7-8-23-16(11-22)20-12(2)21-23/h4-6,9,14H,3,7-8,10-11H2,1-2H3,(H,19,24)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-(3-fluorophenoxy)butyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide?
N-[(2R)-2-(3-fluorophenoxy)butyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3-fluorophenoxy)butyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 125131110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).