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

C18H21N5O2 — CID 162467434

IUPACN-[5-(5-tert-butylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
SMILESCc1nc2cc(NC(=O)C3CC3)nc(-c3ccc(C(C)(C)C)o3)n2n1
InChIInChI=1S/C18H21N5O2/c1-10-19-15-9-14(21-17(24)11-5-6-11)20-16(23(15)22-10)12-7-8-13(25-12)18(2,3)4/h7-9,11H,5-6H2,1-4H3,(H,21,24)
InChIKeyOQCLGQOOYQVIBU-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.34
Rot. Bonds3

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

N-[5-(5-tert-butylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide (PubChem CID 162467434) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[5-(5-tert-butylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(5-tert-butylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
PubChem CID162467434
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[5-(5-tert-butylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
SMILESCc1nc2cc(NC(=O)C3CC3)nc(-c3ccc(C(C)(C)C)o3)n2n1
InChIInChI=1S/C18H21N5O2/c1-10-19-15-9-14(21-17(24)11-5-6-11)20-16(23(15)22-10)12-7-8-13(25-12)18(2,3)4/h7-9,11H,5-6H2,1-4H3,(H,21,24)
InChIKeyOQCLGQOOYQVIBU-UHFFFAOYSA-N
XLogP3.34
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-tert-butylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(5-tert-butylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide (CID 162467434) is N-[5-(5-tert-butylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(5-tert-butylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(5-tert-butylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide is Cc1nc2cc(NC(=O)C3CC3)nc(-c3ccc(C(C)(C)C)o3)n2n1.
What is the InChIKey of N-[5-(5-tert-butylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
The InChIKey is OQCLGQOOYQVIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-10-19-15-9-14(21-17(24)11-5-6-11)20-16(23(15)22-10)12-7-8-13(25-12)18(2,3)4/h7-9,11H,5-6H2,1-4H3,(H,21,24).
What are the key properties of N-[5-(5-tert-butylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
N-[5-(5-tert-butylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-tert-butylfuran-2-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 162467434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).