ethane;molecular hydrogen;N-[5-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C18H26N6O — CID 143788027

IUPACethane;molecular hydrogen;N-[5-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC.CCCn1cc(-c2cccc3nc(NC(=O)C4CC4)nn23)cn1.[H][H]
InChIInChI=1S/C16H18N6O.C2H6.H2/c1-2-8-21-10-12(9-17-21)13-4-3-5-14-18-16(20-22(13)14)19-15(23)11-6-7-11;1-2;/h3-5,9-11H,2,6-8H2,1H3,(H,19,20,23);1-2H3;1H
InChIKeyUHURFQOCQRVIOW-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.62
Rot. Bonds5

About ethane;molecular hydrogen;N-[5-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

ethane;molecular hydrogen;N-[5-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 143788027) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is ethane;molecular hydrogen;N-[5-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound Nameethane;molecular hydrogen;N-[5-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID143788027
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Nameethane;molecular hydrogen;N-[5-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC.CCCn1cc(-c2cccc3nc(NC(=O)C4CC4)nn23)cn1.[H][H]
InChIInChI=1S/C16H18N6O.C2H6.H2/c1-2-8-21-10-12(9-17-21)13-4-3-5-14-18-16(20-22(13)14)19-15(23)11-6-7-11;1-2;/h3-5,9-11H,2,6-8H2,1H3,(H,19,20,23);1-2H3;1H
InChIKeyUHURFQOCQRVIOW-UHFFFAOYSA-N
XLogP3.62
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;N-[5-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of ethane;molecular hydrogen;N-[5-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 143788027) is ethane;molecular hydrogen;N-[5-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for ethane;molecular hydrogen;N-[5-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for ethane;molecular hydrogen;N-[5-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CC.CCCn1cc(-c2cccc3nc(NC(=O)C4CC4)nn23)cn1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;N-[5-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is UHURFQOCQRVIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O.C2H6.H2/c1-2-8-21-10-12(9-17-21)13-4-3-5-14-18-16(20-22(13)14)19-15(23)11-6-7-11;1-2;/h3-5,9-11H,2,6-8H2,1H3,(H,19,20,23);1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;N-[5-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
ethane;molecular hydrogen;N-[5-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 342.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;N-[5-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 143788027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).