imino-[(3-methoxy-1H-1,2,4-triazol-5-yl)imino]azanium

C3H5N6O+ — CID 6333298

IUPACimino-[(3-methoxy-1H-1,2,4-triazol-5-yl)imino]azanium
SMILESCOc1n[nH]c(N=[N+]=N)n1
InChIInChI=1S/C3H4N6O/c1-10-3-5-2(6-8-3)7-9-4/h4H,1H3/p+1
InChIKeyMFRRZOVMIKYYME-UHFFFAOYSA-O
MW141.11 g/mol
LogP-0.00
Rot. Bonds2

About imino-[(3-methoxy-1H-1,2,4-triazol-5-yl)imino]azanium

imino-[(3-methoxy-1H-1,2,4-triazol-5-yl)imino]azanium (PubChem CID 6333298) has the molecular formula C3H5N6O+ and a molecular weight of 141.11 g/mol. Its IUPAC name is imino-[(3-methoxy-1H-1,2,4-triazol-5-yl)imino]azanium.

Molecular Properties

Compound Nameimino-[(3-methoxy-1H-1,2,4-triazol-5-yl)imino]azanium
PubChem CID6333298
Molecular FormulaC3H5N6O+
Molecular Weight141.11 g/mol
Exact Mass141.05
IUPAC Nameimino-[(3-methoxy-1H-1,2,4-triazol-5-yl)imino]azanium
SMILESCOc1n[nH]c(N=[N+]=N)n1
InChIInChI=1S/C3H4N6O/c1-10-3-5-2(6-8-3)7-9-4/h4H,1H3/p+1
InChIKeyMFRRZOVMIKYYME-UHFFFAOYSA-O
XLogP-0.00
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.11
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of imino-[(3-methoxy-1H-1,2,4-triazol-5-yl)imino]azanium?
The IUPAC name of imino-[(3-methoxy-1H-1,2,4-triazol-5-yl)imino]azanium (CID 6333298) is imino-[(3-methoxy-1H-1,2,4-triazol-5-yl)imino]azanium.
What is the SMILES notation for imino-[(3-methoxy-1H-1,2,4-triazol-5-yl)imino]azanium?
The canonical SMILES for imino-[(3-methoxy-1H-1,2,4-triazol-5-yl)imino]azanium is COc1n[nH]c(N=[N+]=N)n1.
What is the InChIKey of imino-[(3-methoxy-1H-1,2,4-triazol-5-yl)imino]azanium?
The InChIKey is MFRRZOVMIKYYME-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H4N6O/c1-10-3-5-2(6-8-3)7-9-4/h4H,1H3/p+1.
What are the key properties of imino-[(3-methoxy-1H-1,2,4-triazol-5-yl)imino]azanium?
imino-[(3-methoxy-1H-1,2,4-triazol-5-yl)imino]azanium has a molecular weight of 141.11 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[(3-methoxy-1H-1,2,4-triazol-5-yl)imino]azanium is sourced from PubChem (CID 6333298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).