N-(3-ethylphenyl)-3-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide

C21H24N6O2 — CID 97405146

IUPACN-(3-ethylphenyl)-3-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide
SMILESCCc1cccc(NC(=O)N2CCn3nnc(COCc4cccnc4)c3C2)c1
InChIInChI=1S/C21H24N6O2/c1-2-16-5-3-7-18(11-16)23-21(28)26-9-10-27-20(13-26)19(24-25-27)15-29-14-17-6-4-8-22-12-17/h3-8,11-12H,2,9-10,13-15H2,1H3,(H,23,28)
InChIKeyPSECGXYHZAKDRR-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.00
Rot. Bonds6

About N-(3-ethylphenyl)-3-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide

N-(3-ethylphenyl)-3-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 97405146) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-3-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID97405146
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-(3-ethylphenyl)-3-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide
SMILESCCc1cccc(NC(=O)N2CCn3nnc(COCc4cccnc4)c3C2)c1
InChIInChI=1S/C21H24N6O2/c1-2-16-5-3-7-18(11-16)23-21(28)26-9-10-27-20(13-26)19(24-25-27)15-29-14-17-6-4-8-22-12-17/h3-8,11-12H,2,9-10,13-15H2,1H3,(H,23,28)
InChIKeyPSECGXYHZAKDRR-UHFFFAOYSA-N
XLogP3.00
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,6R)-2,6-dimethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]morpholine-4-carboxamide
CID 94148495
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N-(3-ethylphenyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 71976492
(2R,3S)-5-N-(3-ethylphenyl)-2-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492729
N-(3-ethylphenyl)thiomorpholine-4-carboxamide
CID 3537953
N-(3-ethylphenyl)-4-(4-methylthiophen-3-yl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 59407142
N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 122131762
1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide
CID 126815827
(1-methylpyrrol-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid
CID 118745173
furan-2-yl-[3-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 97405226
4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
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N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-3-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-3-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide (CID 97405146) is N-(3-ethylphenyl)-3-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-3-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-3-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide is CCc1cccc(NC(=O)N2CCn3nnc(COCc4cccnc4)c3C2)c1.
What is the InChIKey of N-(3-ethylphenyl)-3-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is PSECGXYHZAKDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-2-16-5-3-7-18(11-16)23-21(28)26-9-10-27-20(13-26)19(24-25-27)15-29-14-17-6-4-8-22-12-17/h3-8,11-12H,2,9-10,13-15H2,1H3,(H,23,28).
What are the key properties of N-(3-ethylphenyl)-3-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide?
N-(3-ethylphenyl)-3-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-3-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 97405146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).