2-methyl-6-[2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

C15H18N6O2 — CID 155953802

IUPAC2-methyl-6-[2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(C(=O)Cn1nnc3c1CCCC3)C2
InChIInChI=1S/C15H18N6O2/c1-9-16-12-7-20(6-10(12)15(23)17-9)14(22)8-21-13-5-3-2-4-11(13)18-19-21/h2-8H2,1H3,(H,16,17,23)
InChIKeyXONCQIRDFUCCTQ-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.09
Rot. Bonds2

About 2-methyl-6-[2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

2-methyl-6-[2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 155953802) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-methyl-6-[2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6-[2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID155953802
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name2-methyl-6-[2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(C(=O)Cn1nnc3c1CCCC3)C2
InChIInChI=1S/C15H18N6O2/c1-9-16-12-7-20(6-10(12)15(23)17-9)14(22)8-21-13-5-3-2-4-11(13)18-19-21/h2-8H2,1H3,(H,16,17,23)
InChIKeyXONCQIRDFUCCTQ-UHFFFAOYSA-N
XLogP0.09
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-6-[2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-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

2-methyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975246
7-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136948029
6-(4-ethylbenzoyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135593730
2-methyl-6-[2-(9H-xanthen-9-yl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135719567
(3aR,7aR)-2-[3-(2-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 136828970
N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 137092381
2-methyl-6-[2-(oxolan-2-yl)oxolane-2-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 154854697
6-(3,5-difluorobenzoyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137058255
2-methyl-6-[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 154816114
2,3-dimethyl-5-(2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carbonyl)benzenesulfonamide
CID 136998498
2-methyl-4-oxo-N-(3-phenylbutyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 137214443
2-methyl-7-phosphanyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137223582

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-6-[2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (CID 155953802) is 2-methyl-6-[2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6-[2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6-[2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(C(=O)Cn1nnc3c1CCCC3)C2.
What is the InChIKey of 2-methyl-6-[2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is XONCQIRDFUCCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-9-16-12-7-20(6-10(12)15(23)17-9)14(22)8-21-13-5-3-2-4-11(13)18-19-21/h2-8H2,1H3,(H,16,17,23).
What are the key properties of 2-methyl-6-[2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
2-methyl-6-[2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 314.35 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 155953802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).