2-[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one

C16H16N6O3 — CID 136844350

IUPAC2-[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CN(C(=O)c3ccc4n[nH]nc4c3)CCO2)n1
InChIInChI=1S/C16H16N6O3/c1-9-6-14(23)18-15(17-9)13-8-22(4-5-25-13)16(24)10-2-3-11-12(7-10)20-21-19-11/h2-3,6-7,13H,4-5,8H2,1H3,(H,17,18,23)(H,19,20,21)
InChIKeyPLBSAYXUYZAVND-UHFFFAOYSA-N
MW340.34 g/mol
LogP0.56
Rot. Bonds2

About 2-[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one

2-[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136844350) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136844350
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Name2-[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CN(C(=O)c3ccc4n[nH]nc4c3)CCO2)n1
InChIInChI=1S/C16H16N6O3/c1-9-6-14(23)18-15(17-9)13-8-22(4-5-25-13)16(24)10-2-3-11-12(7-10)20-21-19-11/h2-3,6-7,13H,4-5,8H2,1H3,(H,17,18,23)(H,19,20,21)
InChIKeyPLBSAYXUYZAVND-UHFFFAOYSA-N
XLogP0.56
TPSA116.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide
CID 117683218
1-ethyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzotriazole-5-carboxamide
CID 26972948
2H-benzotriazol-5-yl-(3-methylpiperidin-1-yl)methanone
CID 42892427
2H-benzotriazol-5-yl-(2-ethylpiperidin-1-yl)methanone
CID 71943358
2H-benzotriazol-5-yl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 93607309
6-(2H-benzotriazole-5-carbonyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 155515927
[(3R*,5R*)-1-(1H-1,2,3-benzotriazol-5-ylcarbonyl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
CID 70721700
N-[1-(2-Methoxyethyl)piperidin-4-YL]-2,1,3-benzothiadiazole-5-carboxamide
CID 71784709
N-{cis-4-[2-(dimethylamino)-2-oxoethoxy]tetrahydro-2H-pyran-3-yl}-1H-1,2,3-benzotriazole-5-carboxamide
CID 90647714
(2,6-Dimethylmorpholin-4-yl)-(1-ethylbenzotriazol-5-yl)methanone
CID 18108361
1-ethyl-5-(morpholine-4-carbonyl)-1H-1,2,3-benzotriazole
CID 26583458
2H-benzotriazol-5-yl-[(2S)-2-ethylmorpholin-4-yl]methanone
CID 37720623

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one (CID 136844350) is 2-[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C2CN(C(=O)c3ccc4n[nH]nc4c3)CCO2)n1.
What is the InChIKey of 2-[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is PLBSAYXUYZAVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c1-9-6-14(23)18-15(17-9)13-8-22(4-5-25-13)16(24)10-2-3-11-12(7-10)20-21-19-11/h2-3,6-7,13H,4-5,8H2,1H3,(H,17,18,23)(H,19,20,21).
What are the key properties of 2-[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
2-[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 340.34 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136844350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).