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

C14H23N5O2 — CID 86772847

IUPAC2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCc1nnc2n1CC(NC(C)C(=O)N1CCOCC1)CC2
InChIInChI=1S/C14H23N5O2/c1-10(14(20)18-5-7-21-8-6-18)15-12-3-4-13-17-16-11(2)19(13)9-12/h10,12,15H,3-9H2,1-2H3
InChIKeyJSFIGYOVNPSTMH-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.26
Rot. Bonds3

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

2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 86772847) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID86772847
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCc1nnc2n1CC(NC(C)C(=O)N1CCOCC1)CC2
InChIInChI=1S/C14H23N5O2/c1-10(14(20)18-5-7-21-8-6-18)15-12-3-4-13-17-16-11(2)19(13)9-12/h10,12,15H,3-9H2,1-2H3
InChIKeyJSFIGYOVNPSTMH-UHFFFAOYSA-N
XLogP-0.26
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]-1-morpholin-4-ylpropan-1-one (CID 86772847) is 2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]-1-morpholin-4-ylpropan-1-one is Cc1nnc2n1CC(NC(C)C(=O)N1CCOCC1)CC2.
What is the InChIKey of 2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is JSFIGYOVNPSTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10(14(20)18-5-7-21-8-6-18)15-12-3-4-13-17-16-11(2)19(13)9-12/h10,12,15H,3-9H2,1-2H3.
What are the key properties of 2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]-1-morpholin-4-ylpropan-1-one?
2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 293.37 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 86772847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).