N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylpyrazine-2-carboxamide

C11H17N5O2 — CID 76937040

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)N(CCC(N)=NO)C(=O)c1cnccn1
InChIInChI=1S/C11H17N5O2/c1-8(2)16(6-3-10(12)15-18)11(17)9-7-13-4-5-14-9/h4-5,7-8,18H,3,6H2,1-2H3,(H2,12,15)
InChIKeyIFIDZBFOPNRQKM-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.46
Rot. Bonds5

About N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylpyrazine-2-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 76937040) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID76937040
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)N(CCC(N)=NO)C(=O)c1cnccn1
InChIInChI=1S/C11H17N5O2/c1-8(2)16(6-3-10(12)15-18)11(17)9-7-13-4-5-14-9/h4-5,7-8,18H,3,6H2,1-2H3,(H2,12,15)
InChIKeyIFIDZBFOPNRQKM-UHFFFAOYSA-N
XLogP0.46
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylpyrazine-2-carboxamide (CID 76937040) is N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylpyrazine-2-carboxamide is CC(C)N(CCC(N)=NO)C(=O)c1cnccn1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is IFIDZBFOPNRQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-8(2)16(6-3-10(12)15-18)11(17)9-7-13-4-5-14-9/h4-5,7-8,18H,3,6H2,1-2H3,(H2,12,15).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylpyrazine-2-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 76937040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).