5-(1-benzyltriazol-4-yl)-1H-pyrimidine-2,4-dione

C13H11N5O2 — CID 122373099

IUPAC5-(1-benzyltriazol-4-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cn(Cc3ccccc3)nn2)c(=O)[nH]1
InChIInChI=1S/C13H11N5O2/c19-12-10(6-14-13(20)15-12)11-8-18(17-16-11)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,14,15,19,20)
InChIKeyYVDPPDUWPYKCDQ-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.37
Rot. Bonds3

About 5-(1-benzyltriazol-4-yl)-1H-pyrimidine-2,4-dione

5-(1-benzyltriazol-4-yl)-1H-pyrimidine-2,4-dione (PubChem CID 122373099) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-(1-benzyltriazol-4-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1-benzyltriazol-4-yl)-1H-pyrimidine-2,4-dione
PubChem CID122373099
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name5-(1-benzyltriazol-4-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cn(Cc3ccccc3)nn2)c(=O)[nH]1
InChIInChI=1S/C13H11N5O2/c19-12-10(6-14-13(20)15-12)11-8-18(17-16-11)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,14,15,19,20)
InChIKeyYVDPPDUWPYKCDQ-UHFFFAOYSA-N
XLogP0.37
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyltriazole-4-carbonyl chloride
CID 87720228
2-(1-benzyltriazol-4-yl)benzaldehyde
CID 86652420
4-[3-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one
CID 166253991
3-(1-benzyltriazol-4-yl)chromen-2-one
CID 71541027
1-benzyl-4-(2-bromothiophen-3-yl)triazole
CID 132571161
6-[(1-benzyltriazol-4-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione
CID 118005174
1-benzyl-4-(4-chlorophenyl)triazole
CID 24809363
2-oxopropyl 1-benzyltriazole-4-carboxylate
CID 55640927
1-benzyl-4-thiophen-2-yltriazole
CID 11715687
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
2-[[2-(1-benzyltriazol-4-yl)phenyl]methyl]-3-hydroxycyclohex-2-en-1-one
CID 46850154
1-benzyl-4-fluorotriazole
CID 102109152

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyltriazol-4-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(1-benzyltriazol-4-yl)-1H-pyrimidine-2,4-dione (CID 122373099) is 5-(1-benzyltriazol-4-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(1-benzyltriazol-4-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(1-benzyltriazol-4-yl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cn(Cc3ccccc3)nn2)c(=O)[nH]1.
What is the InChIKey of 5-(1-benzyltriazol-4-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is YVDPPDUWPYKCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c19-12-10(6-14-13(20)15-12)11-8-18(17-16-11)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,14,15,19,20).
What are the key properties of 5-(1-benzyltriazol-4-yl)-1H-pyrimidine-2,4-dione?
5-(1-benzyltriazol-4-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 269.26 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyltriazol-4-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 122373099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).