(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide

C9H16N6O2 — CID 55202680

IUPAC(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESCC(C(=O)NCCc1nncn1C)/C(N)=N/O
InChIInChI=1S/C9H16N6O2/c1-6(8(10)14-17)9(16)11-4-3-7-13-12-5-15(7)2/h5-6,17H,3-4H2,1-2H3,(H2,10,14)(H,11,16)
InChIKeyQJFCDWMRJWRMNJ-UHFFFAOYSA-N
MW240.27 g/mol
LogP-1.14
Rot. Bonds5

About (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide

(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide (PubChem CID 55202680) has the molecular formula C9H16N6O2 and a molecular weight of 240.27 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
PubChem CID55202680
Molecular FormulaC9H16N6O2
Molecular Weight240.27 g/mol
Exact Mass240.13
IUPAC Name(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESCC(C(=O)NCCc1nncn1C)/C(N)=N/O
InChIInChI=1S/C9H16N6O2/c1-6(8(10)14-17)9(16)11-4-3-7-13-12-5-15(7)2/h5-6,17H,3-4H2,1-2H3,(H2,10,14)(H,11,16)
InChIKeyQJFCDWMRJWRMNJ-UHFFFAOYSA-N
XLogP-1.14
TPSA118.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
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 (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide (CID 55202680) is (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide is CC(C(=O)NCCc1nncn1C)/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The InChIKey is QJFCDWMRJWRMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O2/c1-6(8(10)14-17)9(16)11-4-3-7-13-12-5-15(7)2/h5-6,17H,3-4H2,1-2H3,(H2,10,14)(H,11,16).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide?
(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide has a molecular weight of 240.27 g/mol, XLogP of -1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 55202680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).