7-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C18H16ClN5O3 — CID 15524323

IUPAC7-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOc1ccc(CNc2nc(Cl)cc3nc(-c4ccco4)nn23)cc1OC
InChIInChI=1S/C18H16ClN5O3/c1-25-12-6-5-11(8-14(12)26-2)10-20-18-21-15(19)9-16-22-17(23-24(16)18)13-4-3-7-27-13/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyODPFNUGDIFJKRQ-UHFFFAOYSA-N
MW385.81 g/mol
LogP3.67
Rot. Bonds6

About 7-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 15524323) has the molecular formula C18H16ClN5O3 and a molecular weight of 385.81 g/mol. Its IUPAC name is 7-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID15524323
Molecular FormulaC18H16ClN5O3
Molecular Weight385.81 g/mol
Exact Mass385.09
IUPAC Name7-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOc1ccc(CNc2nc(Cl)cc3nc(-c4ccco4)nn23)cc1OC
InChIInChI=1S/C18H16ClN5O3/c1-25-12-6-5-11(8-14(12)26-2)10-20-18-21-15(19)9-16-22-17(23-24(16)18)13-4-3-7-27-13/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyODPFNUGDIFJKRQ-UHFFFAOYSA-N
XLogP3.67
TPSA86.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 15524323) is 7-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is COc1ccc(CNc2nc(Cl)cc3nc(-c4ccco4)nn23)cc1OC.
What is the InChIKey of 7-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is ODPFNUGDIFJKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O3/c1-25-12-6-5-11(8-14(12)26-2)10-20-18-21-15(19)9-16-22-17(23-24(16)18)13-4-3-7-27-13/h3-9H,10H2,1-2H3,(H,20,21).
What are the key properties of 7-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 385.81 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 15524323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).