4-[2-[(2R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

C16H22N6O3 — CID 137106048

IUPAC4-[2-[(2R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESO=C(CCCn1cncn1)N1CCO[C@H](CCc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C16H22N6O3/c23-15-8-13(18-11-19-15)3-4-14-9-21(6-7-25-14)16(24)2-1-5-22-12-17-10-20-22/h8,10-12,14H,1-7,9H2,(H,18,19,23)/t14-/m1/s1
InChIKeyASZVMUVUAZCSEJ-CQSZACIVSA-N
MW346.39 g/mol
LogP0.00
Rot. Bonds7

About 4-[2-[(2R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

4-[2-[(2R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 137106048) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[2-[(2R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[(2R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID137106048
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name4-[2-[(2R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESO=C(CCCn1cncn1)N1CCO[C@H](CCc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C16H22N6O3/c23-15-8-13(18-11-19-15)3-4-14-9-21(6-7-25-14)16(24)2-1-5-22-12-17-10-20-22/h8,10-12,14H,1-7,9H2,(H,18,19,23)/t14-/m1/s1
InChIKeyASZVMUVUAZCSEJ-CQSZACIVSA-N
XLogP0.00
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[(6R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]-1,4-oxazepan-6-yl]methyl]-1H-pyrimidin-6-one
CID 137131703
4-[2-[4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844736
4-[2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136793128
4-[2-[(2S)-4-[2-(4-methylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140122
4-[2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137030447
4-[2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140053
4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137037840
4-[2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137131781
4-[2-[(2R)-4-(2-thiophen-2-ylacetyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137168578
4-[2-[(2S)-4-(4-methyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137044881
2-[4-[3-(1,2,4-triazol-1-yl)propanoyl]morpholin-2-yl]acetic acid
CID 66421547
1-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 125178537

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[(2R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (CID 137106048) is 4-[2-[(2R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[(2R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[(2R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is O=C(CCCn1cncn1)N1CCO[C@H](CCc2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-[2-[(2R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is ASZVMUVUAZCSEJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N6O3/c23-15-8-13(18-11-19-15)3-4-14-9-21(6-7-25-14)16(24)2-1-5-22-12-17-10-20-22/h8,10-12,14H,1-7,9H2,(H,18,19,23)/t14-/m1/s1.
What are the key properties of 4-[2-[(2R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
4-[2-[(2R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 346.39 g/mol, XLogP of 0.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137106048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).