2-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid

C18H15N5O4 — CID 118707891

IUPAC2-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid
SMILESCOc1ccc(CNc2ncc(C(=O)O)c3nc(-c4ccco4)nn23)cc1
InChIInChI=1S/C18H15N5O4/c1-26-12-6-4-11(5-7-12)9-19-18-20-10-13(17(24)25)16-21-15(22-23(16)18)14-3-2-8-27-14/h2-8,10H,9H2,1H3,(H,19,20)(H,24,25)
InChIKeyIWSIZNDPYKQFNO-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.70
Rot. Bonds6

About 2-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid

2-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid (PubChem CID 118707891) has the molecular formula C18H15N5O4 and a molecular weight of 365.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid
PubChem CID118707891
Molecular FormulaC18H15N5O4
Molecular Weight365.35 g/mol
Exact Mass365.11
IUPAC Name2-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid
SMILESCOc1ccc(CNc2ncc(C(=O)O)c3nc(-c4ccco4)nn23)cc1
InChIInChI=1S/C18H15N5O4/c1-26-12-6-4-11(5-7-12)9-19-18-20-10-13(17(24)25)16-21-15(22-23(16)18)14-3-2-8-27-14/h2-8,10H,9H2,1H3,(H,19,20)(H,24,25)
InChIKeyIWSIZNDPYKQFNO-UHFFFAOYSA-N
XLogP2.70
TPSA114.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
CID 118707862
1-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]ethanone
CID 22002498
2-bromo-1-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-3-(4-methoxyphenyl)propan-1-one
CID 139995022
ethyl 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
CID 22002364
2-bromo-1-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]propan-1-one
CID 139995043
4-(3,4-dimethoxyphenyl)-1-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]butan-1-one
CID 139995049
5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
CID 22002278
2-bromo-4-(3,4-dimethoxyphenyl)-1-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]butan-1-one
CID 139995021
1-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-3-(4-fluorophenyl)propan-1-one
CID 139995029
[3-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone
CID 3881211
1-[3-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]propan-1-one
CID 4988028
N-[(3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-8-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002292

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid (CID 118707891) is 2-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid is COc1ccc(CNc2ncc(C(=O)O)c3nc(-c4ccco4)nn23)cc1.
What is the InChIKey of 2-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid?
The InChIKey is IWSIZNDPYKQFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O4/c1-26-12-6-4-11(5-7-12)9-19-18-20-10-13(17(24)25)16-21-15(22-23(16)18)14-3-2-8-27-14/h2-8,10H,9H2,1H3,(H,19,20)(H,24,25).
What are the key properties of 2-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid?
2-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid has a molecular weight of 365.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid is sourced from PubChem (CID 118707891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).