[amino(pyrazol-1-yl)methylidene]azanium

C4H7N4+ — CID 6343289

IUPAC[amino(pyrazol-1-yl)methylidene]azanium
SMILESNC(=[NH2+])n1cccn1
InChIInChI=1S/C4H6N4/c5-4(6)8-3-1-2-7-8/h1-3H,(H3,5,6)/p+1
InChIKeyUCQFSGCWHRTMGG-UHFFFAOYSA-O
MW111.13 g/mol
LogP-2.19
Rot. Bonds

About [amino(pyrazol-1-yl)methylidene]azanium

[amino(pyrazol-1-yl)methylidene]azanium (PubChem CID 6343289) has the molecular formula C4H7N4+ and a molecular weight of 111.13 g/mol. Its IUPAC name is [amino(pyrazol-1-yl)methylidene]azanium.

Molecular Properties

Compound Name[amino(pyrazol-1-yl)methylidene]azanium
PubChem CID6343289
Molecular FormulaC4H7N4+
Molecular Weight111.13 g/mol
Exact Mass111.07
IUPAC Name[amino(pyrazol-1-yl)methylidene]azanium
SMILESNC(=[NH2+])n1cccn1
InChIInChI=1S/C4H6N4/c5-4(6)8-3-1-2-7-8/h1-3H,(H3,5,6)/p+1
InChIKeyUCQFSGCWHRTMGG-UHFFFAOYSA-O
XLogP-2.19
TPSA69.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.13
LogP ≤ 5-2.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino(pyrazol-1-yl)methylidene]azanium?
The IUPAC name of [amino(pyrazol-1-yl)methylidene]azanium (CID 6343289) is [amino(pyrazol-1-yl)methylidene]azanium.
What is the SMILES notation for [amino(pyrazol-1-yl)methylidene]azanium?
The canonical SMILES for [amino(pyrazol-1-yl)methylidene]azanium is NC(=[NH2+])n1cccn1.
What is the InChIKey of [amino(pyrazol-1-yl)methylidene]azanium?
The InChIKey is UCQFSGCWHRTMGG-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6N4/c5-4(6)8-3-1-2-7-8/h1-3H,(H3,5,6)/p+1.
What are the key properties of [amino(pyrazol-1-yl)methylidene]azanium?
[amino(pyrazol-1-yl)methylidene]azanium has a molecular weight of 111.13 g/mol, XLogP of -2.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(pyrazol-1-yl)methylidene]azanium is sourced from PubChem (CID 6343289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).