5-methyl-7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C10H14N6O2 — CID 83026459

IUPAC5-methyl-7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NN2CCOCC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C10H14N6O2/c1-7-11-8(14-15-2-4-18-5-3-15)6-9-12-13-10(17)16(7)9/h6,14H,2-5H2,1H3,(H,13,17)
InChIKeyRDANWOGWYJBAGZ-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.61
Rot. Bonds2

About 5-methyl-7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

5-methyl-7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 83026459) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-methyl-7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5-methyl-7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID83026459
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name5-methyl-7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NN2CCOCC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C10H14N6O2/c1-7-11-8(14-15-2-4-18-5-3-15)6-9-12-13-10(17)16(7)9/h6,14H,2-5H2,1H3,(H,13,17)
InChIKeyRDANWOGWYJBAGZ-UHFFFAOYSA-N
XLogP-0.61
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5-methyl-7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 83026459) is 5-methyl-7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5-methyl-7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5-methyl-7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(NN2CCOCC2)cc2n[nH]c(=O)n12.
What is the InChIKey of 5-methyl-7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is RDANWOGWYJBAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-7-11-8(14-15-2-4-18-5-3-15)6-9-12-13-10(17)16(7)9/h6,14H,2-5H2,1H3,(H,13,17).
What are the key properties of 5-methyl-7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5-methyl-7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 250.26 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 83026459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).