N-[1-(1-hydroxy-5-methyltriazol-4-yl)ethylidene]hydroxylamine

C5H8N4O2 — CID 71439045

IUPACN-[1-(1-hydroxy-5-methyltriazol-4-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1nnn(O)c1C
InChIInChI=1S/C5H8N4O2/c1-3(7-10)5-4(2)9(11)8-6-5/h10-11H,1-2H3
InChIKeyMPLJJBBVGJQEKX-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.02
Rot. Bonds1

About N-[1-(1-hydroxy-5-methyltriazol-4-yl)ethylidene]hydroxylamine

N-[1-(1-hydroxy-5-methyltriazol-4-yl)ethylidene]hydroxylamine (PubChem CID 71439045) has the molecular formula C5H8N4O2 and a molecular weight of 156.14 g/mol. Its IUPAC name is N-[1-(1-hydroxy-5-methyltriazol-4-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(1-hydroxy-5-methyltriazol-4-yl)ethylidene]hydroxylamine
PubChem CID71439045
Molecular FormulaC5H8N4O2
Molecular Weight156.14 g/mol
Exact Mass156.06
IUPAC NameN-[1-(1-hydroxy-5-methyltriazol-4-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1nnn(O)c1C
InChIInChI=1S/C5H8N4O2/c1-3(7-10)5-4(2)9(11)8-6-5/h10-11H,1-2H3
InChIKeyMPLJJBBVGJQEKX-UHFFFAOYSA-N
XLogP0.02
TPSA83.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylidene]hydroxylamine
CID 35584031
(NE)-N-[1-(1,5-dimethylpyrazol-3-yl)ethylidene]hydroxylamine
CID 136983537
5-ethyl-1-hydroxytriazole-4-carboxylic acid
CID 66632331
1,5-dimethyltriazole-4-carboxamide
CID 82207950
N-(1-pyridazin-3-ylethylidene)hydroxylamine
CID 137185184
1-hydroxy-5-methyltetrazole
CID 13223279
(NZ)-N-[1-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-oxazol-4-yl]ethylidene]hydroxylamine
CID 135637374
(NZ)-N-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)tetrazol-5-yl]ethylidene]hydroxylamine
CID 135600943
azonous acid;1-hydroxy-5-(1-hydroxytetrazol-5-yl)tetrazole
CID 175538243
5-ethyl-1-hydroxytriazol-4-ol
CID 69327365
ethyl 1,5-dimethyltriazole-4-carboxylate
CID 14969764
ethyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate
CID 82202576

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-hydroxy-5-methyltriazol-4-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(1-hydroxy-5-methyltriazol-4-yl)ethylidene]hydroxylamine (CID 71439045) is N-[1-(1-hydroxy-5-methyltriazol-4-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(1-hydroxy-5-methyltriazol-4-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(1-hydroxy-5-methyltriazol-4-yl)ethylidene]hydroxylamine is CC(=NO)c1nnn(O)c1C.
What is the InChIKey of N-[1-(1-hydroxy-5-methyltriazol-4-yl)ethylidene]hydroxylamine?
The InChIKey is MPLJJBBVGJQEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-3(7-10)5-4(2)9(11)8-6-5/h10-11H,1-2H3.
What are the key properties of N-[1-(1-hydroxy-5-methyltriazol-4-yl)ethylidene]hydroxylamine?
N-[1-(1-hydroxy-5-methyltriazol-4-yl)ethylidene]hydroxylamine has a molecular weight of 156.14 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-hydroxy-5-methyltriazol-4-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 71439045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).