N'-hydroxy-4-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine-2-carboximidamide

C11H15N7O3 — CID 79670684

IUPACN'-hydroxy-4-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine-2-carboximidamide
SMILESCc1nc(N2CCOC(C(N)=NO)C2)cc2n[nH]c(=O)n12
InChIInChI=1S/C11H15N7O3/c1-6-13-8(4-9-14-15-11(19)18(6)9)17-2-3-21-7(5-17)10(12)16-20/h4,7,20H,2-3,5H2,1H3,(H2,12,16)(H,15,19)
InChIKeyAMFIITHHZNIBKH-UHFFFAOYSA-N
MW293.29 g/mol
LogP-1.32
Rot. Bonds2

About N'-hydroxy-4-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine-2-carboximidamide

N'-hydroxy-4-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine-2-carboximidamide (PubChem CID 79670684) has the molecular formula C11H15N7O3 and a molecular weight of 293.29 g/mol. Its IUPAC name is N'-hydroxy-4-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine-2-carboximidamide
PubChem CID79670684
Molecular FormulaC11H15N7O3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC NameN'-hydroxy-4-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine-2-carboximidamide
SMILESCc1nc(N2CCOC(C(N)=NO)C2)cc2n[nH]c(=O)n12
InChIInChI=1S/C11H15N7O3/c1-6-13-8(4-9-14-15-11(19)18(6)9)17-2-3-21-7(5-17)10(12)16-20/h4,7,20H,2-3,5H2,1H3,(H2,12,16)(H,15,19)
InChIKeyAMFIITHHZNIBKH-UHFFFAOYSA-N
XLogP-1.32
TPSA134.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine-2-carboximidamide (CID 79670684) is N'-hydroxy-4-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine-2-carboximidamide is Cc1nc(N2CCOC(C(N)=NO)C2)cc2n[nH]c(=O)n12.
What is the InChIKey of N'-hydroxy-4-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine-2-carboximidamide?
The InChIKey is AMFIITHHZNIBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O3/c1-6-13-8(4-9-14-15-11(19)18(6)9)17-2-3-21-7(5-17)10(12)16-20/h4,7,20H,2-3,5H2,1H3,(H2,12,16)(H,15,19).
What are the key properties of N'-hydroxy-4-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine-2-carboximidamide?
N'-hydroxy-4-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine-2-carboximidamide has a molecular weight of 293.29 g/mol, XLogP of -1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine-2-carboximidamide is sourced from PubChem (CID 79670684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).