triazole-2-carboximidamide

C3H5N5 — CID 130367055

IUPACtriazole-2-carboximidamide
SMILES[H]/N=C(\N)n1nccn1
InChIInChI=1S/C3H5N5/c4-3(5)8-6-1-2-7-8/h1-2H,(H3,4,5)
InChIKeyGWTVTEBJHVBRCR-UHFFFAOYSA-N
MW111.11 g/mol
LogP-0.98
Rot. Bonds

About triazole-2-carboximidamide

triazole-2-carboximidamide (PubChem CID 130367055) has the molecular formula C3H5N5 and a molecular weight of 111.11 g/mol. Its IUPAC name is triazole-2-carboximidamide.

Molecular Properties

Compound Nametriazole-2-carboximidamide
PubChem CID130367055
Molecular FormulaC3H5N5
Molecular Weight111.11 g/mol
Exact Mass111.05
IUPAC Nametriazole-2-carboximidamide
SMILES[H]/N=C(\N)n1nccn1
InChIInChI=1S/C3H5N5/c4-3(5)8-6-1-2-7-8/h1-2H,(H3,4,5)
InChIKeyGWTVTEBJHVBRCR-UHFFFAOYSA-N
XLogP-0.98
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.11
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

triazole-2-carboximidamide;hydrochloride
CID 130367054
2-(triazol-2-yl)ethanimidamide
CID 136575903
5-aminopyrazole-1-carboximidamide;hydrochloride
CID 19382651
triazole-1-carboximidamide;hydrochloride
CID 18519220
oxaziridine-2-carboximidamide
CID 87822276
4-iminopyridine-1-carboximidamide
CID 154146981
5-amino-4-pyrimidin-4-ylpyrazole-1-carboximidamide
CID 21495087
oxaziridine-2-carboximidamide;hydrochloride
CID 87822275
CID 59630137
CID 59630137
2-oxoazetidine-1-carboximidamide
CID 118484842
3-hydroxy-4-imidazol-1-ylpyrrolidine-1-carboximidamide
CID 121203994
calcium;carbamimidate;dichloride
CID 73456692

Frequently Asked Questions

What is the IUPAC name of triazole-2-carboximidamide?
The IUPAC name of triazole-2-carboximidamide (CID 130367055) is triazole-2-carboximidamide.
What is the SMILES notation for triazole-2-carboximidamide?
The canonical SMILES for triazole-2-carboximidamide is [H]/N=C(\N)n1nccn1.
What is the InChIKey of triazole-2-carboximidamide?
The InChIKey is GWTVTEBJHVBRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5/c4-3(5)8-6-1-2-7-8/h1-2H,(H3,4,5).
What are the key properties of triazole-2-carboximidamide?
triazole-2-carboximidamide has a molecular weight of 111.11 g/mol, XLogP of -0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triazole-2-carboximidamide is sourced from PubChem (CID 130367055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).