[amino-(3,5-dimethylpyrazol-1-yl)methylidene]azanium

C6H11N4+ — CID 6339258

IUPAC[amino-(3,5-dimethylpyrazol-1-yl)methylidene]azanium
SMILESCc1cc(C)n(C(N)=[NH2+])n1
InChIInChI=1S/C6H10N4/c1-4-3-5(2)10(9-4)6(7)8/h3H,1-2H3,(H3,7,8)/p+1
InChIKeyGAZRNXIMWKZADY-UHFFFAOYSA-O
MW139.18 g/mol
LogP-1.58
Rot. Bonds

About [amino-(3,5-dimethylpyrazol-1-yl)methylidene]azanium

[amino-(3,5-dimethylpyrazol-1-yl)methylidene]azanium (PubChem CID 6339258) has the molecular formula C6H11N4+ and a molecular weight of 139.18 g/mol. Its IUPAC name is [amino-(3,5-dimethylpyrazol-1-yl)methylidene]azanium.

Molecular Properties

Compound Name[amino-(3,5-dimethylpyrazol-1-yl)methylidene]azanium
PubChem CID6339258
Molecular FormulaC6H11N4+
Molecular Weight139.18 g/mol
Exact Mass139.10
IUPAC Name[amino-(3,5-dimethylpyrazol-1-yl)methylidene]azanium
SMILESCc1cc(C)n(C(N)=[NH2+])n1
InChIInChI=1S/C6H10N4/c1-4-3-5(2)10(9-4)6(7)8/h3H,1-2H3,(H3,7,8)/p+1
InChIKeyGAZRNXIMWKZADY-UHFFFAOYSA-O
XLogP-1.58
TPSA69.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 5-1.58
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-(3,5-dimethylpyrazol-1-yl)methylidene]azanium?
The IUPAC name of [amino-(3,5-dimethylpyrazol-1-yl)methylidene]azanium (CID 6339258) is [amino-(3,5-dimethylpyrazol-1-yl)methylidene]azanium.
What is the SMILES notation for [amino-(3,5-dimethylpyrazol-1-yl)methylidene]azanium?
The canonical SMILES for [amino-(3,5-dimethylpyrazol-1-yl)methylidene]azanium is Cc1cc(C)n(C(N)=[NH2+])n1.
What is the InChIKey of [amino-(3,5-dimethylpyrazol-1-yl)methylidene]azanium?
The InChIKey is GAZRNXIMWKZADY-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10N4/c1-4-3-5(2)10(9-4)6(7)8/h3H,1-2H3,(H3,7,8)/p+1.
What are the key properties of [amino-(3,5-dimethylpyrazol-1-yl)methylidene]azanium?
[amino-(3,5-dimethylpyrazol-1-yl)methylidene]azanium has a molecular weight of 139.18 g/mol, XLogP of -1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(3,5-dimethylpyrazol-1-yl)methylidene]azanium is sourced from PubChem (CID 6339258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).