N'-hydroxy-3-[propan-2-yl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]propanimidamide

C11H17N7O — CID 77024887

IUPACN'-hydroxy-3-[propan-2-yl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]propanimidamide
SMILESCC(C)N(CCC(N)=NO)c1nccn2cnnc12
InChIInChI=1S/C11H17N7O/c1-8(2)18(5-3-9(12)16-19)10-11-15-14-7-17(11)6-4-13-10/h4,6-8,19H,3,5H2,1-2H3,(H2,12,16)
InChIKeyPBTURLNJYAEKSK-UHFFFAOYSA-N
MW263.31 g/mol
LogP0.48
Rot. Bonds5

About N'-hydroxy-3-[propan-2-yl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]propanimidamide

N'-hydroxy-3-[propan-2-yl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]propanimidamide (PubChem CID 77024887) has the molecular formula C11H17N7O and a molecular weight of 263.31 g/mol. Its IUPAC name is N'-hydroxy-3-[propan-2-yl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[propan-2-yl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]propanimidamide
PubChem CID77024887
Molecular FormulaC11H17N7O
Molecular Weight263.31 g/mol
Exact Mass263.15
IUPAC NameN'-hydroxy-3-[propan-2-yl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]propanimidamide
SMILESCC(C)N(CCC(N)=NO)c1nccn2cnnc12
InChIInChI=1S/C11H17N7O/c1-8(2)18(5-3-9(12)16-19)10-11-15-14-7-17(11)6-4-13-10/h4,6-8,19H,3,5H2,1-2H3,(H2,12,16)
InChIKeyPBTURLNJYAEKSK-UHFFFAOYSA-N
XLogP0.48
TPSA104.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-3-[propan-2-yl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[propan-2-yl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]propanimidamide (CID 77024887) is N'-hydroxy-3-[propan-2-yl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[propan-2-yl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[propan-2-yl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]propanimidamide is CC(C)N(CCC(N)=NO)c1nccn2cnnc12.
What is the InChIKey of N'-hydroxy-3-[propan-2-yl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]propanimidamide?
The InChIKey is PBTURLNJYAEKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-8(2)18(5-3-9(12)16-19)10-11-15-14-7-17(11)6-4-13-10/h4,6-8,19H,3,5H2,1-2H3,(H2,12,16).
What are the key properties of N'-hydroxy-3-[propan-2-yl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]propanimidamide?
N'-hydroxy-3-[propan-2-yl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]propanimidamide has a molecular weight of 263.31 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[propan-2-yl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]propanimidamide is sourced from PubChem (CID 77024887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).