1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3-ethylpyrazin-2-one

C16H24N6O2 — CID 91760477

IUPAC1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3-ethylpyrazin-2-one
SMILESCCc1nccn(Cc2nnc(C3CC(N)C3)n2CCOC)c1=O
InChIInChI=1S/C16H24N6O2/c1-3-13-16(23)21(5-4-18-13)10-14-19-20-15(11-8-12(17)9-11)22(14)6-7-24-2/h4-5,11-12H,3,6-10,17H2,1-2H3
InChIKeyZDXBXVLTRPYHJN-UHFFFAOYSA-N
MW332.41 g/mol
LogP0.30
Rot. Bonds7

About 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3-ethylpyrazin-2-one

1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3-ethylpyrazin-2-one (PubChem CID 91760477) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3-ethylpyrazin-2-one.

Molecular Properties

Compound Name1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3-ethylpyrazin-2-one
PubChem CID91760477
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3-ethylpyrazin-2-one
SMILESCCc1nccn(Cc2nnc(C3CC(N)C3)n2CCOC)c1=O
InChIInChI=1S/C16H24N6O2/c1-3-13-16(23)21(5-4-18-13)10-14-19-20-15(11-8-12(17)9-11)22(14)6-7-24-2/h4-5,11-12H,3,6-10,17H2,1-2H3
InChIKeyZDXBXVLTRPYHJN-UHFFFAOYSA-N
XLogP0.30
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3-ethylpyrazin-2-one with MolForge

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Related Compounds

1-{[5-(cis-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-3,6-dimethylpyrimidine-2,4(1H,3H)-dione
CID 91789669
4-{[5-(trans-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-1-cyclopentylpiperazin-2-one
CID 91784199
4-{[5-(trans-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-N,N-dimethylpiperazine-1-carboxamide
CID 91764403
1-{[5-(cis-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-1,4-diazepan-5-one
CID 91765527
N-[(1-{[5-(cis-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-4-yl)methyl]acetamide
CID 91766906
N-[trans-3-(5-{[4-(2-ethoxyethyl)piperazin-1-yl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]acetamide
CID 91770504
N-(cis-3-{5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)-3-morpholin-4-ylpropanamide
CID 91771705
N-[trans-3-(5-{[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]acetamide
CID 91773454
1-{[5-(trans-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylpyridin-2(1H)-one
CID 91774455
cis-3-[5-{[4-(cyclopropylcarbonyl)-1,4-diazepan-1-yl]methyl}-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91776199
4-{[5-(cis-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-1-methylpiperazin-2-one
CID 91776527
1-{[5-(trans-3-aminocyclobutyl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]methyl}-3-ethylpyrazin-2(1H)-one
CID 91779079

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3-ethylpyrazin-2-one?
The IUPAC name of 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3-ethylpyrazin-2-one (CID 91760477) is 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3-ethylpyrazin-2-one.
What is the SMILES notation for 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3-ethylpyrazin-2-one?
The canonical SMILES for 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3-ethylpyrazin-2-one is CCc1nccn(Cc2nnc(C3CC(N)C3)n2CCOC)c1=O.
What is the InChIKey of 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3-ethylpyrazin-2-one?
The InChIKey is ZDXBXVLTRPYHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-3-13-16(23)21(5-4-18-13)10-14-19-20-15(11-8-12(17)9-11)22(14)6-7-24-2/h4-5,11-12H,3,6-10,17H2,1-2H3.
What are the key properties of 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3-ethylpyrazin-2-one?
1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3-ethylpyrazin-2-one has a molecular weight of 332.41 g/mol, XLogP of 0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3-ethylpyrazin-2-one is sourced from PubChem (CID 91760477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).