hydroxy-methoxy-(1H-1,2,4-triazol-5-yl)azanium

C3H7N4O2+ — CID 142371491

IUPAChydroxy-methoxy-(1H-1,2,4-triazol-5-yl)azanium
SMILESCO[NH+](O)c1ncn[nH]1
InChIInChI=1S/C3H6N4O2/c1-9-7(8)3-4-2-5-6-3/h2,8H,1H3,(H,4,5,6)/p+1
InChIKeyUOPJCWHHCSRCSE-UHFFFAOYSA-O
MW131.12 g/mol
LogP-1.73
Rot. Bonds2

About hydroxy-methoxy-(1H-1,2,4-triazol-5-yl)azanium

hydroxy-methoxy-(1H-1,2,4-triazol-5-yl)azanium (PubChem CID 142371491) has the molecular formula C3H7N4O2+ and a molecular weight of 131.12 g/mol. Its IUPAC name is hydroxy-methoxy-(1H-1,2,4-triazol-5-yl)azanium.

Molecular Properties

Compound Namehydroxy-methoxy-(1H-1,2,4-triazol-5-yl)azanium
PubChem CID142371491
Molecular FormulaC3H7N4O2+
Molecular Weight131.12 g/mol
Exact Mass131.06
IUPAC Namehydroxy-methoxy-(1H-1,2,4-triazol-5-yl)azanium
SMILESCO[NH+](O)c1ncn[nH]1
InChIInChI=1S/C3H6N4O2/c1-9-7(8)3-4-2-5-6-3/h2,8H,1H3,(H,4,5,6)/p+1
InChIKeyUOPJCWHHCSRCSE-UHFFFAOYSA-O
XLogP-1.73
TPSA75.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.12
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-methoxy-1H-1,2,4-triazole
CID 143372875
methyl 2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propanoate
CID 171863476
1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol
CID 67570980
5-(2-methoxyethyl)-1H-1,2,4-triazole
CID 58490953
methyl 3,4-dihydroxy-4-(1H-1,2,4-triazol-5-yl)butanoate
CID 171894981
5-(methoxymethylsulfanyl)-1H-1,2,4-triazole
CID 21177764
3-(1H-1,2,4-triazol-5-yl)prop-1-en-2-ol
CID 67831911
N'-methyl-1H-1,2,4-triazole-5-carboximidamide
CID 135965193
5-methylsulfanyloxy-1H-1,2,4-triazole
CID 121329843
5-(5-methoxy-3,4-dimethyloxolan-2-yl)-1H-1,2,4-triazole
CID 21360623
2-methoxy-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 115589055
N-methyl-1H-1,2,4-triazol-5-amine
CID 566828

Frequently Asked Questions

What is the IUPAC name of hydroxy-methoxy-(1H-1,2,4-triazol-5-yl)azanium?
The IUPAC name of hydroxy-methoxy-(1H-1,2,4-triazol-5-yl)azanium (CID 142371491) is hydroxy-methoxy-(1H-1,2,4-triazol-5-yl)azanium.
What is the SMILES notation for hydroxy-methoxy-(1H-1,2,4-triazol-5-yl)azanium?
The canonical SMILES for hydroxy-methoxy-(1H-1,2,4-triazol-5-yl)azanium is CO[NH+](O)c1ncn[nH]1.
What is the InChIKey of hydroxy-methoxy-(1H-1,2,4-triazol-5-yl)azanium?
The InChIKey is UOPJCWHHCSRCSE-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H6N4O2/c1-9-7(8)3-4-2-5-6-3/h2,8H,1H3,(H,4,5,6)/p+1.
What are the key properties of hydroxy-methoxy-(1H-1,2,4-triazol-5-yl)azanium?
hydroxy-methoxy-(1H-1,2,4-triazol-5-yl)azanium has a molecular weight of 131.12 g/mol, XLogP of -1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methoxy-(1H-1,2,4-triazol-5-yl)azanium is sourced from PubChem (CID 142371491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).