ethane;molecular hydrogen;1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanone

C10H19N3O — CID 145225485

IUPACethane;molecular hydrogen;1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanone
SMILESCC.CC(=O)c1nc2n(n1)CCCC2.[H][H]
InChIInChI=1S/C8H11N3O.C2H6.H2/c1-6(12)8-9-7-4-2-3-5-11(7)10-8;1-2;/h2-5H2,1H3;1-2H3;1H
InChIKeyPCRKOMQRWYDGID-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.09
Rot. Bonds1

About ethane;molecular hydrogen;1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanone

ethane;molecular hydrogen;1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanone (PubChem CID 145225485) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is ethane;molecular hydrogen;1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanone.

Molecular Properties

Compound Nameethane;molecular hydrogen;1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanone
PubChem CID145225485
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Nameethane;molecular hydrogen;1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanone
SMILESCC.CC(=O)c1nc2n(n1)CCCC2.[H][H]
InChIInChI=1S/C8H11N3O.C2H6.H2/c1-6(12)8-9-7-4-2-3-5-11(7)10-8;1-2;/h2-5H2,1H3;1-2H3;1H
InChIKeyPCRKOMQRWYDGID-UHFFFAOYSA-N
XLogP2.09
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanone?
The IUPAC name of ethane;molecular hydrogen;1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanone (CID 145225485) is ethane;molecular hydrogen;1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanone.
What is the SMILES notation for ethane;molecular hydrogen;1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanone?
The canonical SMILES for ethane;molecular hydrogen;1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanone is CC.CC(=O)c1nc2n(n1)CCCC2.[H][H].
What is the InChIKey of ethane;molecular hydrogen;1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanone?
The InChIKey is PCRKOMQRWYDGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.C2H6.H2/c1-6(12)8-9-7-4-2-3-5-11(7)10-8;1-2;/h2-5H2,1H3;1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanone?
ethane;molecular hydrogen;1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanone has a molecular weight of 197.28 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanone is sourced from PubChem (CID 145225485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).