[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol

C17H15ClN6O2 — CID 146387139

IUPAC[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol
SMILESCc1cc(-c2c(-c3ccc(C)o3)nc(N)n3nc(CO)nc23)cc(Cl)n1
InChIInChI=1S/C17H15ClN6O2/c1-8-5-10(6-12(18)20-8)14-15(11-4-3-9(2)26-11)22-17(19)24-16(14)21-13(7-25)23-24/h3-6,25H,7H2,1-2H3,(H2,19,22)
InChIKeyXLGMPJRCZXGZJD-UHFFFAOYSA-N
MW370.80 g/mol
LogP2.79
Rot. Bonds3

About [5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol

[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol (PubChem CID 146387139) has the molecular formula C17H15ClN6O2 and a molecular weight of 370.80 g/mol. Its IUPAC name is [5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol
PubChem CID146387139
Molecular FormulaC17H15ClN6O2
Molecular Weight370.80 g/mol
Exact Mass370.09
IUPAC Name[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol
SMILESCc1cc(-c2c(-c3ccc(C)o3)nc(N)n3nc(CO)nc23)cc(Cl)n1
InChIInChI=1S/C17H15ClN6O2/c1-8-5-10(6-12(18)20-8)14-15(11-4-3-9(2)26-11)22-17(19)24-16(14)21-13(7-25)23-24/h3-6,25H,7H2,1-2H3,(H2,19,22)
InChIKeyXLGMPJRCZXGZJD-UHFFFAOYSA-N
XLogP2.79
TPSA115.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol?
The IUPAC name of [5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol (CID 146387139) is [5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol.
What is the SMILES notation for [5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol?
The canonical SMILES for [5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol is Cc1cc(-c2c(-c3ccc(C)o3)nc(N)n3nc(CO)nc23)cc(Cl)n1.
What is the InChIKey of [5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol?
The InChIKey is XLGMPJRCZXGZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O2/c1-8-5-10(6-12(18)20-8)14-15(11-4-3-9(2)26-11)22-17(19)24-16(14)21-13(7-25)23-24/h3-6,25H,7H2,1-2H3,(H2,19,22).
What are the key properties of [5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol?
[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol has a molecular weight of 370.80 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol is sourced from PubChem (CID 146387139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).