2-[3-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C16H19N7O3 — CID 126799351

IUPAC2-[3-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1ncnc1C1COCCN1C(=O)CCn1nc2ccccn2c1=O
InChIInChI=1S/C16H19N7O3/c1-20-15(17-11-18-20)12-10-26-9-8-21(12)14(24)5-7-23-16(25)22-6-3-2-4-13(22)19-23/h2-4,6,11-12H,5,7-10H2,1H3
InChIKeyPNJXYGKASQVMBS-UHFFFAOYSA-N
MW357.37 g/mol
LogP-0.39
Rot. Bonds4

About 2-[3-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[3-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 126799351) has the molecular formula C16H19N7O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-[3-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID126799351
Molecular FormulaC16H19N7O3
Molecular Weight357.37 g/mol
Exact Mass357.15
IUPAC Name2-[3-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1ncnc1C1COCCN1C(=O)CCn1nc2ccccn2c1=O
InChIInChI=1S/C16H19N7O3/c1-20-15(17-11-18-20)12-10-26-9-8-21(12)14(24)5-7-23-16(25)22-6-3-2-4-13(22)19-23/h2-4,6,11-12H,5,7-10H2,1H3
InChIKeyPNJXYGKASQVMBS-UHFFFAOYSA-N
XLogP-0.39
TPSA99.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[3-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 126799351) is 2-[3-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[3-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[3-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cn1ncnc1C1COCCN1C(=O)CCn1nc2ccccn2c1=O.
What is the InChIKey of 2-[3-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is PNJXYGKASQVMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O3/c1-20-15(17-11-18-20)12-10-26-9-8-21(12)14(24)5-7-23-16(25)22-6-3-2-4-13(22)19-23/h2-4,6,11-12H,5,7-10H2,1H3.
What are the key properties of 2-[3-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[3-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 357.37 g/mol, XLogP of -0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 126799351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).