3-[(4R)-7-chloro-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]cyclobutan-1-ol

C13H15ClN6O — CID 88587169

IUPAC3-[(4R)-7-chloro-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]cyclobutan-1-ol
SMILESCC[C@@H]1c2nncn2-c2cnc(Cl)nc2N1C1CC(O)C1
InChIInChI=1S/C13H15ClN6O/c1-2-9-12-18-16-6-19(12)10-5-15-13(14)17-11(10)20(9)7-3-8(21)4-7/h5-9,21H,2-4H2,1H3/t7?,8?,9-/m1/s1
InChIKeyCGHWVAANBITNCP-AMDVSUOASA-N
MW306.76 g/mol
LogP1.51
Rot. Bonds2

About 3-[(4R)-7-chloro-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]cyclobutan-1-ol

3-[(4R)-7-chloro-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]cyclobutan-1-ol (PubChem CID 88587169) has the molecular formula C13H15ClN6O and a molecular weight of 306.76 g/mol. Its IUPAC name is 3-[(4R)-7-chloro-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(4R)-7-chloro-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]cyclobutan-1-ol
PubChem CID88587169
Molecular FormulaC13H15ClN6O
Molecular Weight306.76 g/mol
Exact Mass306.10
IUPAC Name3-[(4R)-7-chloro-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]cyclobutan-1-ol
SMILESCC[C@@H]1c2nncn2-c2cnc(Cl)nc2N1C1CC(O)C1
InChIInChI=1S/C13H15ClN6O/c1-2-9-12-18-16-6-19(12)10-5-15-13(14)17-11(10)20(9)7-3-8(21)4-7/h5-9,21H,2-4H2,1H3/t7?,8?,9-/m1/s1
InChIKeyCGHWVAANBITNCP-AMDVSUOASA-N
XLogP1.51
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-7-chloro-4-ethyl-5-(oxolan-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87423187
(4R)-7-chloro-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine;(4R)-5-cyclopentyl-4-ethyl-7-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine;1-methylpiperidine
CID 159548127
(4R)-7-chloro-5-(1-cyclopropylethyl)-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87223274
5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
CID 141194019
N,5-dicyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
CID 66672557
methyl N-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]carbamate
CID 24890789
5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 123214877
(6R)-3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine
CID 59286705
(4R)-5-cyclopentyl-4-ethyl-7-(1-oxidopyridin-1-ium-4-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499872
(4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979801
4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine
CID 66979234
5-cyclobutyl-4-ethyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979593

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-7-chloro-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]cyclobutan-1-ol?
The IUPAC name of 3-[(4R)-7-chloro-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]cyclobutan-1-ol (CID 88587169) is 3-[(4R)-7-chloro-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(4R)-7-chloro-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[(4R)-7-chloro-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]cyclobutan-1-ol is CC[C@@H]1c2nncn2-c2cnc(Cl)nc2N1C1CC(O)C1.
What is the InChIKey of 3-[(4R)-7-chloro-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]cyclobutan-1-ol?
The InChIKey is CGHWVAANBITNCP-AMDVSUOASA-N. The full InChI is InChI=1S/C13H15ClN6O/c1-2-9-12-18-16-6-19(12)10-5-15-13(14)17-11(10)20(9)7-3-8(21)4-7/h5-9,21H,2-4H2,1H3/t7?,8?,9-/m1/s1.
What are the key properties of 3-[(4R)-7-chloro-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]cyclobutan-1-ol?
3-[(4R)-7-chloro-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]cyclobutan-1-ol has a molecular weight of 306.76 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-7-chloro-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]cyclobutan-1-ol is sourced from PubChem (CID 88587169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).