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

C12H18N6O2 — CID 66282318

IUPAC7-(1-morpholin-4-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC(CN1CCOCC1)Nc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C12H18N6O2/c1-9(7-17-2-4-20-5-3-17)14-10-6-11-15-16-12(19)18(11)8-13-10/h6,8-9,14H,2-5,7H2,1H3,(H,16,19)
InChIKeyWZSDVRFUWHQWCP-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.45
Rot. Bonds4

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

7-(1-morpholin-4-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66282318) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 7-(1-morpholin-4-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(1-morpholin-4-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66282318
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name7-(1-morpholin-4-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC(CN1CCOCC1)Nc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C12H18N6O2/c1-9(7-17-2-4-20-5-3-17)14-10-6-11-15-16-12(19)18(11)8-13-10/h6,8-9,14H,2-5,7H2,1H3,(H,16,19)
InChIKeyWZSDVRFUWHQWCP-UHFFFAOYSA-N
XLogP-0.45
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(1-morpholin-4-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(1-morpholin-4-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66282318) is 7-(1-morpholin-4-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(1-morpholin-4-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(1-morpholin-4-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CC(CN1CCOCC1)Nc1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of 7-(1-morpholin-4-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is WZSDVRFUWHQWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-9(7-17-2-4-20-5-3-17)14-10-6-11-15-16-12(19)18(11)8-13-10/h6,8-9,14H,2-5,7H2,1H3,(H,16,19).
What are the key properties of 7-(1-morpholin-4-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(1-morpholin-4-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 278.32 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-morpholin-4-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66282318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).