3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one

C8H9N5O — CID 130604240

IUPAC3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one
SMILESCc1nc(Cn2cnccc2=O)n[nH]1
InChIInChI=1S/C8H9N5O/c1-6-10-7(12-11-6)4-13-5-9-3-2-8(13)14/h2-3,5H,4H2,1H3,(H,10,11,12)
InChIKeyIHDOOCZJTAMWCX-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.28
Rot. Bonds2

About 3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one

3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one (PubChem CID 130604240) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one
PubChem CID130604240
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one
SMILESCc1nc(Cn2cnccc2=O)n[nH]1
InChIInChI=1S/C8H9N5O/c1-6-10-7(12-11-6)4-13-5-9-3-2-8(13)14/h2-3,5H,4H2,1H3,(H,10,11,12)
InChIKeyIHDOOCZJTAMWCX-UHFFFAOYSA-N
XLogP-0.28
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]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-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 38016174
5-amino-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]-1H-pyrimidin-6-one
CID 20480345
2-(4H-1,2,4-triazol-3-yl)pyrimidin-4-ol
CID 43654588
N-[(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]acetamide
CID 59967519
N-[(E)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]acetamide
CID 12465376
6-chloro-2-[(3-methyl-1H-1,2,4-triazol-5-yl)methyl]pyridazin-3(2H)-one
CID 50963112
2-(2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54884818
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54884961
1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-dione
CID 55238433
N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
CID 60977964
6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide
CID 60983070
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 64510021

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one (CID 130604240) is 3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one is Cc1nc(Cn2cnccc2=O)n[nH]1.
What is the InChIKey of 3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one?
The InChIKey is IHDOOCZJTAMWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-6-10-7(12-11-6)4-13-5-9-3-2-8(13)14/h2-3,5H,4H2,1H3,(H,10,11,12).
What are the key properties of 3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one?
3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one has a molecular weight of 191.19 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 130604240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).