8-(4-cyclohexyltriazol-1-yl)-1,3-dimethyl-7H-purine-2,6-dione

C15H19N7O2 — CID 67969072

IUPAC8-(4-cyclohexyltriazol-1-yl)-1,3-dimethyl-7H-purine-2,6-dione
SMILESCn1c(=O)c2[nH]c(-n3cc(C4CCCCC4)nn3)nc2n(C)c1=O
InChIInChI=1S/C15H19N7O2/c1-20-12-11(13(23)21(2)15(20)24)16-14(17-12)22-8-10(18-19-22)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,16,17)
InChIKeyTYUJLGCSLVSJTP-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.59
Rot. Bonds2

About 8-(4-cyclohexyltriazol-1-yl)-1,3-dimethyl-7H-purine-2,6-dione

8-(4-cyclohexyltriazol-1-yl)-1,3-dimethyl-7H-purine-2,6-dione (PubChem CID 67969072) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 8-(4-cyclohexyltriazol-1-yl)-1,3-dimethyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(4-cyclohexyltriazol-1-yl)-1,3-dimethyl-7H-purine-2,6-dione
PubChem CID67969072
Molecular FormulaC15H19N7O2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name8-(4-cyclohexyltriazol-1-yl)-1,3-dimethyl-7H-purine-2,6-dione
SMILESCn1c(=O)c2[nH]c(-n3cc(C4CCCCC4)nn3)nc2n(C)c1=O
InChIInChI=1S/C15H19N7O2/c1-20-12-11(13(23)21(2)15(20)24)16-14(17-12)22-8-10(18-19-22)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,16,17)
InChIKeyTYUJLGCSLVSJTP-UHFFFAOYSA-N
XLogP0.59
TPSA103.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(4-cyclohexyltriazol-1-yl)-1,3-dimethyl-7H-purine-2,6-dione with MolForge

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Related Compounds

[4-[4-(cyclohexylmethyl)triazol-1-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 30881980
[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 154887451
7-[2-[4-(1H-imidazole-5-carbonyl)piperidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
CID 58493477
8-chloro-1-[3-(1H-imidazol-5-yl)propyl]-3-pentyl-7H-purine-2,6-dione
CID 59405355
8-(4-benzyltriazol-1-yl)-1,3-dimethyl-7H-purine-2,6-dione
CID 67959534
8-(1-cyclohexyltriazol-4-yl)-1,3-dimethyl-7H-purine-2,6-dione
CID 67969071
8-[4-(2-aminocyclohexyl)triazol-1-yl]-1,3-dimethyl-7H-purine-2,6-dione
CID 67977463
8-[4-(1-aminocyclohexyl)triazol-1-yl]-1,3-dimethyl-7H-purine-2,6-dione
CID 123328992
3,7-dimethyl-1-[4-(2H-triazol-4-yl)butyl]purine-2,6-dione
CID 124086692
3,7-Dimethyl-1-[4-(2-methyltriazol-4-yl)butyl]purine-2,6-dione
CID 124086715
3,7-Dimethyl-1-[3-(1-methyltriazol-4-yl)propyl]purine-2,6-dione
CID 124086721
3,7-Dimethyl-1-[3-(2-methyltriazol-4-yl)propyl]purine-2,6-dione
CID 124086726

Frequently Asked Questions

What is the IUPAC name of 8-(4-cyclohexyltriazol-1-yl)-1,3-dimethyl-7H-purine-2,6-dione?
The IUPAC name of 8-(4-cyclohexyltriazol-1-yl)-1,3-dimethyl-7H-purine-2,6-dione (CID 67969072) is 8-(4-cyclohexyltriazol-1-yl)-1,3-dimethyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(4-cyclohexyltriazol-1-yl)-1,3-dimethyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(4-cyclohexyltriazol-1-yl)-1,3-dimethyl-7H-purine-2,6-dione is Cn1c(=O)c2[nH]c(-n3cc(C4CCCCC4)nn3)nc2n(C)c1=O.
What is the InChIKey of 8-(4-cyclohexyltriazol-1-yl)-1,3-dimethyl-7H-purine-2,6-dione?
The InChIKey is TYUJLGCSLVSJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O2/c1-20-12-11(13(23)21(2)15(20)24)16-14(17-12)22-8-10(18-19-22)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 8-(4-cyclohexyltriazol-1-yl)-1,3-dimethyl-7H-purine-2,6-dione?
8-(4-cyclohexyltriazol-1-yl)-1,3-dimethyl-7H-purine-2,6-dione has a molecular weight of 329.36 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-cyclohexyltriazol-1-yl)-1,3-dimethyl-7H-purine-2,6-dione is sourced from PubChem (CID 67969072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).