N-[5-(5-cyclopropylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide

C17H17N5O2 — CID 162467437

IUPACN-[5-(5-cyclopropylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
SMILESCc1nc2cc(NC(=O)C3CC3)nc(-c3ccc(C4CC4)o3)n2n1
InChIInChI=1S/C17H17N5O2/c1-9-18-15-8-14(20-17(23)11-4-5-11)19-16(22(15)21-9)13-7-6-12(24-13)10-2-3-10/h6-8,10-11H,2-5H2,1H3,(H,20,23)
InChIKeyOKEJOWQVIJOJCO-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.92
Rot. Bonds4

About N-[5-(5-cyclopropylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide

N-[5-(5-cyclopropylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide (PubChem CID 162467437) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[5-(5-cyclopropylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(5-cyclopropylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
PubChem CID162467437
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[5-(5-cyclopropylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
SMILESCc1nc2cc(NC(=O)C3CC3)nc(-c3ccc(C4CC4)o3)n2n1
InChIInChI=1S/C17H17N5O2/c1-9-18-15-8-14(20-17(23)11-4-5-11)19-16(22(15)21-9)13-7-6-12(24-13)10-2-3-10/h6-8,10-11H,2-5H2,1H3,(H,20,23)
InChIKeyOKEJOWQVIJOJCO-UHFFFAOYSA-N
XLogP2.92
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-cyclopropylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(5-cyclopropylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide (CID 162467437) is N-[5-(5-cyclopropylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(5-cyclopropylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(5-cyclopropylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide is Cc1nc2cc(NC(=O)C3CC3)nc(-c3ccc(C4CC4)o3)n2n1.
What is the InChIKey of N-[5-(5-cyclopropylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
The InChIKey is OKEJOWQVIJOJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-9-18-15-8-14(20-17(23)11-4-5-11)19-16(22(15)21-9)13-7-6-12(24-13)10-2-3-10/h6-8,10-11H,2-5H2,1H3,(H,20,23).
What are the key properties of N-[5-(5-cyclopropylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
N-[5-(5-cyclopropylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-cyclopropylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 162467437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).