2-[(1R,2R)-2-hydroxycyclohexyl]-4,6-dipropyltriazolo[4,5-d]pyrimidine-5,7-dione

C16H25N5O3 — CID 10088325

IUPAC2-[(1R,2R)-2-hydroxycyclohexyl]-4,6-dipropyltriazolo[4,5-d]pyrimidine-5,7-dione
SMILESCCCn1c(=O)c2nn([C@@H]3CCCC[C@H]3O)nc2n(CCC)c1=O
InChIInChI=1S/C16H25N5O3/c1-3-9-19-14-13(15(23)20(10-4-2)16(19)24)17-21(18-14)11-7-5-6-8-12(11)22/h11-12,22H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyOBZITOASJYYTLW-VXGBXAGGSA-N
MW335.41 g/mol
LogP1.05
Rot. Bonds5

About 2-[(1R,2R)-2-hydroxycyclohexyl]-4,6-dipropyltriazolo[4,5-d]pyrimidine-5,7-dione

2-[(1R,2R)-2-hydroxycyclohexyl]-4,6-dipropyltriazolo[4,5-d]pyrimidine-5,7-dione (PubChem CID 10088325) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[(1R,2R)-2-hydroxycyclohexyl]-4,6-dipropyltriazolo[4,5-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name2-[(1R,2R)-2-hydroxycyclohexyl]-4,6-dipropyltriazolo[4,5-d]pyrimidine-5,7-dione
PubChem CID10088325
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name2-[(1R,2R)-2-hydroxycyclohexyl]-4,6-dipropyltriazolo[4,5-d]pyrimidine-5,7-dione
SMILESCCCn1c(=O)c2nn([C@@H]3CCCC[C@H]3O)nc2n(CCC)c1=O
InChIInChI=1S/C16H25N5O3/c1-3-9-19-14-13(15(23)20(10-4-2)16(19)24)17-21(18-14)11-7-5-6-8-12(11)22/h11-12,22H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyOBZITOASJYYTLW-VXGBXAGGSA-N
XLogP1.05
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(1R,2R)-2-hydroxycyclohexyl]-4,6-dipropyltriazolo[4,5-d]pyrimidine-5,7-dione with MolForge

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Related Compounds

2-cyclopentyl-3,5-dioxo-4-propyl-1,2,4-triazine-6-carbonitrile
CID 46881995
6-propyl-1,3,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12)-diene-5,7-dione
CID 11053570
5-ethyl-2-(2-hydroxycyclohexyl)-4-methyl-4H-pyrazol-3-one
CID 63561652
7-methyl-3-propyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione
CID 82466277
N-[6-amino-1-(3-hydroxypropyl)-2,4-dioxo-3-propylpyrimidin-5-yl]cyclopentanecarboxamide
CID 101226892
5-[(1S,2S)-2-hydroxycyclopentyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 102735158
1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one
CID 104751301
8-[(1S,2S)-2-phenylcyclopentyl]-1,3-dipropyl-7H-purine-2,6-dione
CID 10022684
8-(dicyclopropylmethyl)-7-ethyl-1,3-dipropylpurine-2,6-dione
CID 15667115
8-cyclopentyl-1,3-dipropyl-6-sulfanylidene-7H-purin-2-one
CID 19382381
8-(2-bicyclo[2.2.1]heptanyl)-1,3-dipropyl-7H-purine-2,6-dione
CID 10359295
1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
CID 82464598

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-hydroxycyclohexyl]-4,6-dipropyltriazolo[4,5-d]pyrimidine-5,7-dione?
The IUPAC name of 2-[(1R,2R)-2-hydroxycyclohexyl]-4,6-dipropyltriazolo[4,5-d]pyrimidine-5,7-dione (CID 10088325) is 2-[(1R,2R)-2-hydroxycyclohexyl]-4,6-dipropyltriazolo[4,5-d]pyrimidine-5,7-dione.
What is the SMILES notation for 2-[(1R,2R)-2-hydroxycyclohexyl]-4,6-dipropyltriazolo[4,5-d]pyrimidine-5,7-dione?
The canonical SMILES for 2-[(1R,2R)-2-hydroxycyclohexyl]-4,6-dipropyltriazolo[4,5-d]pyrimidine-5,7-dione is CCCn1c(=O)c2nn([C@@H]3CCCC[C@H]3O)nc2n(CCC)c1=O.
What is the InChIKey of 2-[(1R,2R)-2-hydroxycyclohexyl]-4,6-dipropyltriazolo[4,5-d]pyrimidine-5,7-dione?
The InChIKey is OBZITOASJYYTLW-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-3-9-19-14-13(15(23)20(10-4-2)16(19)24)17-21(18-14)11-7-5-6-8-12(11)22/h11-12,22H,3-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of 2-[(1R,2R)-2-hydroxycyclohexyl]-4,6-dipropyltriazolo[4,5-d]pyrimidine-5,7-dione?
2-[(1R,2R)-2-hydroxycyclohexyl]-4,6-dipropyltriazolo[4,5-d]pyrimidine-5,7-dione has a molecular weight of 335.41 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-hydroxycyclohexyl]-4,6-dipropyltriazolo[4,5-d]pyrimidine-5,7-dione is sourced from PubChem (CID 10088325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).