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

C9H12N6O2 — CID 83025781

IUPAC7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(NN3CCOCC3)ncn12
InChIInChI=1S/C9H12N6O2/c16-9-12-11-8-5-7(10-6-15(8)9)13-14-1-3-17-4-2-14/h5-6,13H,1-4H2,(H,12,16)
InChIKeyVLCRNWFZNNZPGN-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.92
Rot. Bonds2

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

7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 83025781) has the molecular formula C9H12N6O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID83025781
Molecular FormulaC9H12N6O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(NN3CCOCC3)ncn12
InChIInChI=1S/C9H12N6O2/c16-9-12-11-8-5-7(10-6-15(8)9)13-14-1-3-17-4-2-14/h5-6,13H,1-4H2,(H,12,16)
InChIKeyVLCRNWFZNNZPGN-UHFFFAOYSA-N
XLogP-0.92
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 83025781) is 7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is O=c1[nH]nc2cc(NN3CCOCC3)ncn12.
What is the InChIKey of 7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is VLCRNWFZNNZPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2/c16-9-12-11-8-5-7(10-6-15(8)9)13-14-1-3-17-4-2-14/h5-6,13H,1-4H2,(H,12,16).
What are the key properties of 7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 236.23 g/mol, XLogP of -0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 83025781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).