5-morpholin-4-yl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

C10H10N6O2 — CID 13417019

IUPAC5-morpholin-4-yl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1c(N2CCOCC2)nc2nc[nH]n2c1=O
InChIInChI=1S/C10H10N6O2/c11-5-7-8(15-1-3-18-4-2-15)14-10-12-6-13-16(10)9(7)17/h6H,1-4H2,(H,12,13,14)
InChIKeyFGBMQVFSMUISOW-UHFFFAOYSA-N
MW246.23 g/mol
LogP-0.87
Rot. Bonds1

About 5-morpholin-4-yl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

5-morpholin-4-yl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 13417019) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 5-morpholin-4-yl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name5-morpholin-4-yl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID13417019
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name5-morpholin-4-yl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1c(N2CCOCC2)nc2nc[nH]n2c1=O
InChIInChI=1S/C10H10N6O2/c11-5-7-8(15-1-3-18-4-2-15)14-10-12-6-13-16(10)9(7)17/h6H,1-4H2,(H,12,13,14)
InChIKeyFGBMQVFSMUISOW-UHFFFAOYSA-N
XLogP-0.87
TPSA99.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 5-morpholin-4-yl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (CID 13417019) is 5-morpholin-4-yl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 5-morpholin-4-yl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 5-morpholin-4-yl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is N#Cc1c(N2CCOCC2)nc2nc[nH]n2c1=O.
What is the InChIKey of 5-morpholin-4-yl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is FGBMQVFSMUISOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2/c11-5-7-8(15-1-3-18-4-2-15)14-10-12-6-13-16(10)9(7)17/h6H,1-4H2,(H,12,13,14).
What are the key properties of 5-morpholin-4-yl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
5-morpholin-4-yl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 246.23 g/mol, XLogP of -0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 13417019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).