N-[2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl]-4-methylpyrazin-4-ium-2-carboxamide

C10H14N5O3+ — CID 8991039

IUPACN-[2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl]-4-methylpyrazin-4-ium-2-carboxamide
SMILESC[n+]1ccnc(C(=O)NCCNC(=O)/C=N\O)c1
InChIInChI=1S/C10H13N5O3/c1-15-5-4-11-8(7-15)10(17)13-3-2-12-9(16)6-14-18/h4-7H,2-3H2,1H3,(H2-,12,13,16,17,18)/p+1
InChIKeyHKJDHPAANKYZET-UHFFFAOYSA-O
MW252.25 g/mol
LogP-1.79
Rot. Bonds5

About N-[2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl]-4-methylpyrazin-4-ium-2-carboxamide

N-[2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl]-4-methylpyrazin-4-ium-2-carboxamide (PubChem CID 8991039) has the molecular formula C10H14N5O3+ and a molecular weight of 252.25 g/mol. Its IUPAC name is N-[2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl]-4-methylpyrazin-4-ium-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl]-4-methylpyrazin-4-ium-2-carboxamide
PubChem CID8991039
Molecular FormulaC10H14N5O3+
Molecular Weight252.25 g/mol
Exact Mass252.11
IUPAC NameN-[2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl]-4-methylpyrazin-4-ium-2-carboxamide
SMILESC[n+]1ccnc(C(=O)NCCNC(=O)/C=N\O)c1
InChIInChI=1S/C10H13N5O3/c1-15-5-4-11-8(7-15)10(17)13-3-2-12-9(16)6-14-18/h4-7H,2-3H2,1H3,(H2-,12,13,16,17,18)/p+1
InChIKeyHKJDHPAANKYZET-UHFFFAOYSA-O
XLogP-1.79
TPSA107.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2,2-dichloroacetyl)amino]ethyl]-4-methylpyrazin-4-ium-2-carboxamide
CID 8991081
N-[3-[[(2Z)-2-hydroxyiminopropanoyl]amino]propyl]-4-methylpyrazin-4-ium-2-carboxamide
CID 8991053
4-methyl-N-[2-[[1-methyl-6-(nitrosomethylidene)pyridine-3-carbonyl]amino]ethyl]pyrazin-4-ium-2-carboxamide
CID 8991071
N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride
CID 11958871
(2E)-N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-2-hydroxyiminoacetamide;dihydrochloride
CID 163331599
N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide
CID 108574860
N-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide
CID 76982242
methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574667
6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium
CID 6866633
N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide
CID 108540814
N-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide
CID 6806051
prop-2-enyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 108574875

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl]-4-methylpyrazin-4-ium-2-carboxamide?
The IUPAC name of N-[2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl]-4-methylpyrazin-4-ium-2-carboxamide (CID 8991039) is N-[2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl]-4-methylpyrazin-4-ium-2-carboxamide.
What is the SMILES notation for N-[2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl]-4-methylpyrazin-4-ium-2-carboxamide?
The canonical SMILES for N-[2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl]-4-methylpyrazin-4-ium-2-carboxamide is C[n+]1ccnc(C(=O)NCCNC(=O)/C=N\O)c1.
What is the InChIKey of N-[2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl]-4-methylpyrazin-4-ium-2-carboxamide?
The InChIKey is HKJDHPAANKYZET-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13N5O3/c1-15-5-4-11-8(7-15)10(17)13-3-2-12-9(16)6-14-18/h4-7H,2-3H2,1H3,(H2-,12,13,16,17,18)/p+1.
What are the key properties of N-[2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl]-4-methylpyrazin-4-ium-2-carboxamide?
N-[2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl]-4-methylpyrazin-4-ium-2-carboxamide has a molecular weight of 252.25 g/mol, XLogP of -1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl]-4-methylpyrazin-4-ium-2-carboxamide is sourced from PubChem (CID 8991039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).