1-propan-2-yl-5-(4-propan-2-yltriazol-1-yl)pyrimidine-2,4-dione

C12H17N5O2 — CID 122543570

IUPAC1-propan-2-yl-5-(4-propan-2-yltriazol-1-yl)pyrimidine-2,4-dione
SMILESCC(C)c1cn(-c2cn(C(C)C)c(=O)[nH]c2=O)nn1
InChIInChI=1S/C12H17N5O2/c1-7(2)9-5-17(15-14-9)10-6-16(8(3)4)12(19)13-11(10)18/h5-8H,1-4H3,(H,13,18,19)
InChIKeyRGRDEMSUQDUTQK-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.82
Rot. Bonds3

About 1-propan-2-yl-5-(4-propan-2-yltriazol-1-yl)pyrimidine-2,4-dione

1-propan-2-yl-5-(4-propan-2-yltriazol-1-yl)pyrimidine-2,4-dione (PubChem CID 122543570) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-propan-2-yl-5-(4-propan-2-yltriazol-1-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-propan-2-yl-5-(4-propan-2-yltriazol-1-yl)pyrimidine-2,4-dione
PubChem CID122543570
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-propan-2-yl-5-(4-propan-2-yltriazol-1-yl)pyrimidine-2,4-dione
SMILESCC(C)c1cn(-c2cn(C(C)C)c(=O)[nH]c2=O)nn1
InChIInChI=1S/C12H17N5O2/c1-7(2)9-5-17(15-14-9)10-6-16(8(3)4)12(19)13-11(10)18/h5-8H,1-4H3,(H,13,18,19)
InChIKeyRGRDEMSUQDUTQK-UHFFFAOYSA-N
XLogP0.82
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-propan-2-yl-5-(4-propan-2-yltriazol-1-yl)pyrimidine-2,4-dione 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

5-chloro-1-propan-2-ylpyrimidine-2,4-dione
CID 58194995
2,4-dioxo-1-propan-2-ylpyrimidine-5-sulfonyl chloride
CID 84707700
4-(4-propan-2-yltriazol-1-yl)-2-pyridin-2-yl-1H-pyrazol-3-one
CID 59603633
5-but-3-enyl-1-propan-2-ylpyrimidine-2,4-dione
CID 58462461
5-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione
CID 175852243
5-bromo-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione
CID 162083169
5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione
CID 161423675
2-oxo-3-propan-2-yl-1H-imidazole-5-carboxylic acid
CID 117190011
5-(4-propan-2-yltriazol-1-yl)-1,3-benzothiazole
CID 168797809
5-(3-hydroxyprop-1-ynyl)-1-propan-2-ylpyrimidine-2,4-dione
CID 164872342
(4-propan-2-yltriazol-1-yl)methylphosphane
CID 59576295
5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyridine
CID 157318274

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-(4-propan-2-yltriazol-1-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-propan-2-yl-5-(4-propan-2-yltriazol-1-yl)pyrimidine-2,4-dione (CID 122543570) is 1-propan-2-yl-5-(4-propan-2-yltriazol-1-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-propan-2-yl-5-(4-propan-2-yltriazol-1-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-propan-2-yl-5-(4-propan-2-yltriazol-1-yl)pyrimidine-2,4-dione is CC(C)c1cn(-c2cn(C(C)C)c(=O)[nH]c2=O)nn1.
What is the InChIKey of 1-propan-2-yl-5-(4-propan-2-yltriazol-1-yl)pyrimidine-2,4-dione?
The InChIKey is RGRDEMSUQDUTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-7(2)9-5-17(15-14-9)10-6-16(8(3)4)12(19)13-11(10)18/h5-8H,1-4H3,(H,13,18,19).
What are the key properties of 1-propan-2-yl-5-(4-propan-2-yltriazol-1-yl)pyrimidine-2,4-dione?
1-propan-2-yl-5-(4-propan-2-yltriazol-1-yl)pyrimidine-2,4-dione has a molecular weight of 263.30 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-(4-propan-2-yltriazol-1-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 122543570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).