(4R)-7-chloro-5-(1-cyclopropylethyl)-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine

C14H17ClN6 — CID 87223274

IUPAC(4R)-7-chloro-5-(1-cyclopropylethyl)-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nncn2-c2cnc(Cl)nc2N1C(C)C1CC1
InChIInChI=1S/C14H17ClN6/c1-3-10-13-19-17-7-20(13)11-6-16-14(15)18-12(11)21(10)8(2)9-4-5-9/h6-10H,3-5H2,1-2H3/t8?,10-/m1/s1
InChIKeyODZPUJGJCADCCZ-LHIURRSHSA-N
MW304.79 g/mol
LogP2.78
Rot. Bonds3

About (4R)-7-chloro-5-(1-cyclopropylethyl)-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine

(4R)-7-chloro-5-(1-cyclopropylethyl)-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 87223274) has the molecular formula C14H17ClN6 and a molecular weight of 304.79 g/mol. Its IUPAC name is (4R)-7-chloro-5-(1-cyclopropylethyl)-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name(4R)-7-chloro-5-(1-cyclopropylethyl)-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID87223274
Molecular FormulaC14H17ClN6
Molecular Weight304.79 g/mol
Exact Mass304.12
IUPAC Name(4R)-7-chloro-5-(1-cyclopropylethyl)-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nncn2-c2cnc(Cl)nc2N1C(C)C1CC1
InChIInChI=1S/C14H17ClN6/c1-3-10-13-19-17-7-20(13)11-6-16-14(15)18-12(11)21(10)8(2)9-4-5-9/h6-10H,3-5H2,1-2H3/t8?,10-/m1/s1
InChIKeyODZPUJGJCADCCZ-LHIURRSHSA-N
XLogP2.78
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4R)-7-chloro-5-(1-cyclopropylethyl)-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine with MolForge

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Related Compounds

7-chloro-4-cyclopropyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87223347
3-[(4R)-7-chloro-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]cyclobutan-1-ol
CID 88587169
(4R)-7-chloro-4-ethyl-5-(oxolan-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87423187
4-ethyl-7-(2-phenyl-4,5-dihydroimidazol-1-yl)-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979728
(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
5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
CID 141194019
2-[1-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)imidazol-2-yl]-1,3-thiazole
CID 66979817
N,5-dicyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
CID 66672557
5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 158045627
5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 123214877
4-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole
CID 66979577
methyl N-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]carbamate
CID 24890789

Frequently Asked Questions

What is the IUPAC name of (4R)-7-chloro-5-(1-cyclopropylethyl)-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of (4R)-7-chloro-5-(1-cyclopropylethyl)-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 87223274) is (4R)-7-chloro-5-(1-cyclopropylethyl)-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for (4R)-7-chloro-5-(1-cyclopropylethyl)-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for (4R)-7-chloro-5-(1-cyclopropylethyl)-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine is CC[C@@H]1c2nncn2-c2cnc(Cl)nc2N1C(C)C1CC1.
What is the InChIKey of (4R)-7-chloro-5-(1-cyclopropylethyl)-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is ODZPUJGJCADCCZ-LHIURRSHSA-N. The full InChI is InChI=1S/C14H17ClN6/c1-3-10-13-19-17-7-20(13)11-6-16-14(15)18-12(11)21(10)8(2)9-4-5-9/h6-10H,3-5H2,1-2H3/t8?,10-/m1/s1.
What are the key properties of (4R)-7-chloro-5-(1-cyclopropylethyl)-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine?
(4R)-7-chloro-5-(1-cyclopropylethyl)-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 304.79 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-chloro-5-(1-cyclopropylethyl)-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 87223274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).