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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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).