4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide

C18H21N7O2 — CID 90389883

IUPAC4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide
SMILESCOc1ccc(-n2nnc3cnc(NC4CCC(C(N)=O)CC4)nc32)cc1
InChIInChI=1S/C18H21N7O2/c1-27-14-8-6-13(7-9-14)25-17-15(23-24-25)10-20-18(22-17)21-12-4-2-11(3-5-12)16(19)26/h6-12H,2-5H2,1H3,(H2,19,26)(H,20,21,22)
InChIKeyJDUQEHFYOAZGKI-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.68
Rot. Bonds5

About 4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide

4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide (PubChem CID 90389883) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide
PubChem CID90389883
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide
SMILESCOc1ccc(-n2nnc3cnc(NC4CCC(C(N)=O)CC4)nc32)cc1
InChIInChI=1S/C18H21N7O2/c1-27-14-8-6-13(7-9-14)25-17-15(23-24-25)10-20-18(22-17)21-12-4-2-11(3-5-12)16(19)26/h6-12H,2-5H2,1H3,(H2,19,26)(H,20,21,22)
InChIKeyJDUQEHFYOAZGKI-UHFFFAOYSA-N
XLogP1.68
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide with MolForge

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Related Compounds

3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 86278982
trans-N-[3-(4-methoxy-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-cyclohexane-1,4-diamine
CID 90389602
4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{N}-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 134214787
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 25183355
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine
CID 42602774
3-{3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}-N-[(4-methoxyphenyl)methyl]propanamide
CID 16009052
5H-Pyrrolo(3,2-d)pyrimidine-2,4-diamine, N,N'-bis(4-methoxyphenyl)-
CID 5748926
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44454940
7-benzyl-4-N-(4-methoxyphenyl)-4-N-methyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 137661858
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2512205
1-benzyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 656061
8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-propan-2-ylpurine-2,8-diamine
CID 24810997

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide (CID 90389883) is 4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide is COc1ccc(-n2nnc3cnc(NC4CCC(C(N)=O)CC4)nc32)cc1.
What is the InChIKey of 4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide?
The InChIKey is JDUQEHFYOAZGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-27-14-8-6-13(7-9-14)25-17-15(23-24-25)10-20-18(22-17)21-12-4-2-11(3-5-12)16(19)26/h6-12H,2-5H2,1H3,(H2,19,26)(H,20,21,22).
What are the key properties of 4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide?
4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 90389883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).