3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid

C17H18N6O3 — CID 123258965

IUPAC3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(-n2nnc3cnc(NC4CCC(C(=O)O)C4)nc32)cc1
InChIInChI=1S/C17H18N6O3/c1-26-13-6-4-12(5-7-13)23-15-14(21-22-23)9-18-17(20-15)19-11-3-2-10(8-11)16(24)25/h4-7,9-11H,2-3,8H2,1H3,(H,24,25)(H,18,19,20)
InChIKeyWONHEPJXOZITSV-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.88
Rot. Bonds5

About 3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid

3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid (PubChem CID 123258965) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid
PubChem CID123258965
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Name3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(-n2nnc3cnc(NC4CCC(C(=O)O)C4)nc32)cc1
InChIInChI=1S/C17H18N6O3/c1-26-13-6-4-12(5-7-13)23-15-14(21-22-23)9-18-17(20-15)19-11-3-2-10(8-11)16(24)25/h4-7,9-11H,2-3,8H2,1H3,(H,24,25)(H,18,19,20)
InChIKeyWONHEPJXOZITSV-UHFFFAOYSA-N
XLogP1.88
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

3-(4-methoxyphenyl)-N-[(1S,3S)-3-methylcyclopentyl]triazolo[4,5-d]pyrimidin-5-amine
CID 90397889
trans-(1S,3S)-3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90389737
N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 86279715
carbamic acid;N-cyclohexyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 129094343
trans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 90389644
3-(4-methoxyphenyl)-N-[(1R,3S)-3-(trimethyl-λ4-sulfanyl)cyclopentyl]triazolo[4,5-d]pyrimidin-5-amine
CID 118668260
1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-ol
CID 90389778
3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carbonitrile
CID 118659313
3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid
CID 123610593
trans-(1R,3R)-3-[[3-(1,2-dimethylbenzimidazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid
CID 118659286
3-[[3-(5-methoxy-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90390356
trans-(1R,3R)-3-[[3-(4-iodophenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 86279313

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid (CID 123258965) is 3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid is COc1ccc(-n2nnc3cnc(NC4CCC(C(=O)O)C4)nc32)cc1.
What is the InChIKey of 3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is WONHEPJXOZITSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-26-13-6-4-12(5-7-13)23-15-14(21-22-23)9-18-17(20-15)19-11-3-2-10(8-11)16(24)25/h4-7,9-11H,2-3,8H2,1H3,(H,24,25)(H,18,19,20).
What are the key properties of 3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid?
3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 354.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 123258965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).