7-chloro-4-cyclopropyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine

C13H15ClN6 — CID 87223347

IUPAC7-chloro-4-cyclopropyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC(C)N1c2nc(Cl)ncc2-n2cnnc2C1C1CC1
InChIInChI=1S/C13H15ClN6/c1-7(2)20-10(8-3-4-8)12-18-16-6-19(12)9-5-15-13(14)17-11(9)20/h5-8,10H,3-4H2,1-2H3
InChIKeySOHJBRGANMPJSN-UHFFFAOYSA-N
MW290.76 g/mol
LogP2.39
Rot. Bonds2

About 7-chloro-4-cyclopropyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine

7-chloro-4-cyclopropyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 87223347) has the molecular formula C13H15ClN6 and a molecular weight of 290.76 g/mol. Its IUPAC name is 7-chloro-4-cyclopropyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name7-chloro-4-cyclopropyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID87223347
Molecular FormulaC13H15ClN6
Molecular Weight290.76 g/mol
Exact Mass290.10
IUPAC Name7-chloro-4-cyclopropyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC(C)N1c2nc(Cl)ncc2-n2cnnc2C1C1CC1
InChIInChI=1S/C13H15ClN6/c1-7(2)20-10(8-3-4-8)12-18-16-6-19(12)9-5-15-13(14)17-11(9)20/h5-8,10H,3-4H2,1-2H3
InChIKeySOHJBRGANMPJSN-UHFFFAOYSA-N
XLogP2.39
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.76
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-7-chloro-5-(1-cyclopropylethyl)-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87223274
(4R)-7-chloro-4-ethyl-5-(oxolan-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87423187
3-[(4R)-7-chloro-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]cyclobutan-1-ol
CID 88587169
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
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
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
5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
CID 141194019
(4R)-4-ethyl-5-propan-2-yl-7-[4-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979585
5-[(4R)-4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-4-(4-fluorophenyl)-1,3-thiazole-2-carbonitrile
CID 67499705
(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine
CID 59765793
5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 158045627

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-cyclopropyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of 7-chloro-4-cyclopropyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 87223347) is 7-chloro-4-cyclopropyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for 7-chloro-4-cyclopropyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for 7-chloro-4-cyclopropyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine is CC(C)N1c2nc(Cl)ncc2-n2cnnc2C1C1CC1.
What is the InChIKey of 7-chloro-4-cyclopropyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is SOHJBRGANMPJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6/c1-7(2)20-10(8-3-4-8)12-18-16-6-19(12)9-5-15-13(14)17-11(9)20/h5-8,10H,3-4H2,1-2H3.
What are the key properties of 7-chloro-4-cyclopropyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
7-chloro-4-cyclopropyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 290.76 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-cyclopropyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 87223347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).