1-morpholin-4-yl-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propan-1-one

C16H27N5O2 — CID 86772860

IUPAC1-morpholin-4-yl-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propan-1-one
SMILESCC(NC1CCc2nnc(C(C)C)n2C1)C(=O)N1CCOCC1
InChIInChI=1S/C16H27N5O2/c1-11(2)15-19-18-14-5-4-13(10-21(14)15)17-12(3)16(22)20-6-8-23-9-7-20/h11-13,17H,4-10H2,1-3H3
InChIKeySAPIWCMTPQYRGY-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.55
Rot. Bonds4

About 1-morpholin-4-yl-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propan-1-one

1-morpholin-4-yl-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propan-1-one (PubChem CID 86772860) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propan-1-one
PubChem CID86772860
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name1-morpholin-4-yl-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propan-1-one
SMILESCC(NC1CCc2nnc(C(C)C)n2C1)C(=O)N1CCOCC1
InChIInChI=1S/C16H27N5O2/c1-11(2)15-19-18-14-5-4-13(10-21(14)15)17-12(3)16(22)20-6-8-23-9-7-20/h11-13,17H,4-10H2,1-3H3
InChIKeySAPIWCMTPQYRGY-UHFFFAOYSA-N
XLogP0.55
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-morpholin-4-yl-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propan-1-one (CID 86772860) is 1-morpholin-4-yl-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propan-1-one is CC(NC1CCc2nnc(C(C)C)n2C1)C(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propan-1-one?
The InChIKey is SAPIWCMTPQYRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-11(2)15-19-18-14-5-4-13(10-21(14)15)17-12(3)16(22)20-6-8-23-9-7-20/h11-13,17H,4-10H2,1-3H3.
What are the key properties of 1-morpholin-4-yl-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propan-1-one?
1-morpholin-4-yl-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propan-1-one has a molecular weight of 321.43 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propan-1-one is sourced from PubChem (CID 86772860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).