cyclopropanecarbaldehyde;ethane;5-[4-[(1-hydroxy-1-methoxy-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

About cyclopropanecarbaldehyde;ethane;5-[4-[(1-hydroxy-1-methoxy-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

cyclopropanecarbaldehyde;ethane;5-[4-[(1-hydroxy-1-methoxy-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 142309841) has the molecular formula C24H35N5O3S and a molecular weight of 473.64 g/mol. Its IUPAC name is cyclopropanecarbaldehyde;ethane;5-[4-[(1-hydroxy-1-methoxy-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name	cyclopropanecarbaldehyde;ethane;5-[4-[(1-hydroxy-1-methoxy-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID	142309841
Molecular Formula	C24H35N5O3S
Molecular Weight	473.64 g/mol
Exact Mass	473.25
IUPAC Name	cyclopropanecarbaldehyde;ethane;5-[4-[(1-hydroxy-1-methoxy-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILES	CC.COS1(O)CCN(Cc2ccc(-c3cccc4nc(N)nn34)cc2)CC1.O=CC1CC1
InChI	InChI=1S/C18H23N5O2S.C4H6O.C2H6/c1-25-26(24)11-9-22(10-12-26)13-14-5-7-15(8-6-14)16-3-2-4-17-20-18(19)21-23(16)17;5-3-4-1-2-4;1-2/h2-8,24H,9-13H2,1H3,(H2,19,21);3-4H,1-2H2;1-2H3
InChIKey	FMGPVATWWRWXQI-UHFFFAOYSA-N
XLogP	4.25
TPSA	105.98 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	5
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.64
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarbaldehyde;ethane;5-[4-[(1-hydroxy-1-methoxy-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of cyclopropanecarbaldehyde;ethane;5-[4-[(1-hydroxy-1-methoxy-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 142309841) is cyclopropanecarbaldehyde;ethane;5-[4-[(1-hydroxy-1-methoxy-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for cyclopropanecarbaldehyde;ethane;5-[4-[(1-hydroxy-1-methoxy-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for cyclopropanecarbaldehyde;ethane;5-[4-[(1-hydroxy-1-methoxy-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC.COS1(O)CCN(Cc2ccc(-c3cccc4nc(N)nn34)cc2)CC1.O=CC1CC1.

What is the InChIKey of cyclopropanecarbaldehyde;ethane;5-[4-[(1-hydroxy-1-methoxy-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is FMGPVATWWRWXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S.C4H6O.C2H6/c1-25-26(24)11-9-22(10-12-26)13-14-5-7-15(8-6-14)16-3-2-4-17-20-18(19)21-23(16)17;5-3-4-1-2-4;1-2/h2-8,24H,9-13H2,1H3,(H2,19,21);3-4H,1-2H2;1-2H3.

What are the key properties of cyclopropanecarbaldehyde;ethane;5-[4-[(1-hydroxy-1-methoxy-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

cyclopropanecarbaldehyde;ethane;5-[4-[(1-hydroxy-1-methoxy-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 473.64 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropanecarbaldehyde;ethane;5-[4-[(1-hydroxy-1-methoxy-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 142309841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).