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

C17H17N5O2 — CID 59589877

IUPACN-[5-(4-ethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide
SMILESCCOc1ccc(-c2nccc3nc(NC(=O)C4CC4)nn23)cc1
InChIInChI=1S/C17H17N5O2/c1-2-24-13-7-5-11(6-8-13)15-18-10-9-14-19-17(21-22(14)15)20-16(23)12-3-4-12/h5-10,12H,2-4H2,1H3,(H,20,21,23)
InChIKeyLQRZDTDSGOMFRF-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.54
Rot. Bonds5

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

N-[5-(4-ethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide (PubChem CID 59589877) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[5-(4-ethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-ethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide
PubChem CID59589877
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[5-(4-ethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide
SMILESCCOc1ccc(-c2nccc3nc(NC(=O)C4CC4)nn23)cc1
InChIInChI=1S/C17H17N5O2/c1-2-24-13-7-5-11(6-8-13)15-18-10-9-14-19-17(21-22(14)15)20-16(23)12-3-4-12/h5-10,12H,2-4H2,1H3,(H,20,21,23)
InChIKeyLQRZDTDSGOMFRF-UHFFFAOYSA-N
XLogP2.54
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(4-ethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide (CID 59589877) is N-[5-(4-ethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(4-ethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(4-ethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide is CCOc1ccc(-c2nccc3nc(NC(=O)C4CC4)nn23)cc1.
What is the InChIKey of N-[5-(4-ethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide?
The InChIKey is LQRZDTDSGOMFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-2-24-13-7-5-11(6-8-13)15-18-10-9-14-19-17(21-22(14)15)20-16(23)12-3-4-12/h5-10,12H,2-4H2,1H3,(H,20,21,23).
What are the key properties of N-[5-(4-ethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide?
N-[5-(4-ethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59589877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).