6-[(1-benzyltriazol-4-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione

C15H15N5O2 — CID 118005174

IUPAC6-[(1-benzyltriazol-4-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(Cc2cn(Cc3ccccc3)nn2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H15N5O2/c1-10-13(16-15(22)17-14(10)21)7-12-9-20(19-18-12)8-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,16,17,21,22)
InChIKeyGLDGCOYWNROLSQ-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.60
Rot. Bonds4

About 6-[(1-benzyltriazol-4-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione

6-[(1-benzyltriazol-4-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 118005174) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 6-[(1-benzyltriazol-4-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(1-benzyltriazol-4-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID118005174
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name6-[(1-benzyltriazol-4-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(Cc2cn(Cc3ccccc3)nn2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H15N5O2/c1-10-13(16-15(22)17-14(10)21)7-12-9-20(19-18-12)8-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,16,17,21,22)
InChIKeyGLDGCOYWNROLSQ-UHFFFAOYSA-N
XLogP0.60
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-dibenzyltriazole
CID 56663361
5-(1-benzyltriazol-4-yl)-1H-pyrimidine-2,4-dione
CID 122373099
1-benzyl-4-pentyltriazole
CID 71590860
1-benzyl-4-(2-phenylethyl)triazole
CID 56666792
5-[(1-benzyltriazol-4-yl)methyl]-1H-imidazol-2-amine;hydrochloride
CID 67064307
1-benzyl-4-(pyrazol-1-ylmethyl)triazole
CID 102307082
2-(1-benzyltriazol-4-yl)ethanamine
CID 83638080
3-[(1-benzyltriazol-4-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazol-2-one
CID 155547405
dimethyl 2-[(1-benzyltriazol-4-yl)methyl]propanedioate
CID 132562921
1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole
CID 112717132
3-[(1-benzyltriazol-4-yl)methyl]-1,5-dimethyl-1,5-benzodiazepine-2,4-dione
CID 91473751
(1-benzyltriazol-4-yl)methyl benzoate
CID 16745949

Frequently Asked Questions

What is the IUPAC name of 6-[(1-benzyltriazol-4-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(1-benzyltriazol-4-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione (CID 118005174) is 6-[(1-benzyltriazol-4-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(1-benzyltriazol-4-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(1-benzyltriazol-4-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione is Cc1c(Cc2cn(Cc3ccccc3)nn2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(1-benzyltriazol-4-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is GLDGCOYWNROLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-10-13(16-15(22)17-14(10)21)7-12-9-20(19-18-12)8-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,16,17,21,22).
What are the key properties of 6-[(1-benzyltriazol-4-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione?
6-[(1-benzyltriazol-4-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 297.32 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-benzyltriazol-4-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 118005174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).