N'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide

C14H17N5O2 — CID 76981236

IUPACN'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide
SMILESCn1ccnc(N(CCC(N)=NO)c2ccccc2)c1=O
InChIInChI=1S/C14H17N5O2/c1-18-10-8-16-13(14(18)20)19(9-7-12(15)17-21)11-5-3-2-4-6-11/h2-6,8,10,21H,7,9H2,1H3,(H2,15,17)
InChIKeyPWASQATULCKDIF-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.05
Rot. Bonds5

About N'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide

N'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide (PubChem CID 76981236) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide
PubChem CID76981236
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide
SMILESCn1ccnc(N(CCC(N)=NO)c2ccccc2)c1=O
InChIInChI=1S/C14H17N5O2/c1-18-10-8-16-13(14(18)20)19(9-7-12(15)17-21)11-5-3-2-4-6-11/h2-6,8,10,21H,7,9H2,1H3,(H2,15,17)
InChIKeyPWASQATULCKDIF-UHFFFAOYSA-N
XLogP1.05
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide (CID 76981236) is N'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide is Cn1ccnc(N(CCC(N)=NO)c2ccccc2)c1=O.
What is the InChIKey of N'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide?
The InChIKey is PWASQATULCKDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-18-10-8-16-13(14(18)20)19(9-7-12(15)17-21)11-5-3-2-4-6-11/h2-6,8,10,21H,7,9H2,1H3,(H2,15,17).
What are the key properties of N'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide?
N'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide has a molecular weight of 287.32 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide is sourced from PubChem (CID 76981236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).