triazine-4-carboximidamide

C4H5N5 — CID 154182712

IUPACtriazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnn1
InChIInChI=1S/C4H5N5/c5-4(6)3-1-2-7-9-8-3/h1-2H,(H3,5,6)
InChIKeyDBVBEXDNLXLCBH-UHFFFAOYSA-N
MW123.12 g/mol
LogP-0.84
Rot. Bonds1

About triazine-4-carboximidamide

triazine-4-carboximidamide (PubChem CID 154182712) has the molecular formula C4H5N5 and a molecular weight of 123.12 g/mol. Its IUPAC name is triazine-4-carboximidamide.

Molecular Properties

Compound Nametriazine-4-carboximidamide
PubChem CID154182712
Molecular FormulaC4H5N5
Molecular Weight123.12 g/mol
Exact Mass123.05
IUPAC Nametriazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnn1
InChIInChI=1S/C4H5N5/c5-4(6)3-1-2-7-9-8-3/h1-2H,(H3,5,6)
InChIKeyDBVBEXDNLXLCBH-UHFFFAOYSA-N
XLogP-0.84
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.12
LogP ≤ 5-0.84
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

pyridine-2,6-dicarboximidamide
CID 23373306
1-amino-1-(triazin-4-yl)guanidine
CID 67905399
4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride
CID 19988643
1-sulfanylpyrazole-3-carboximidamide
CID 68503147
6-tert-butylpyridazine-3-carboximidamide
CID 89426391
quinoline-2-carboximidamide;dihydrochloride
CID 42614305
4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
3-methoxypyridazine-4-carboximidamide
CID 80514231
2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550631
2-cycloheptyloxypyrimidine-4-carboximidamide
CID 107551067
2-cyclohexylsulfanylpyrimidine-4-carboximidamide
CID 107551814
N-sulfonyltriazine-4-carboxamide
CID 141377040

Frequently Asked Questions

What is the IUPAC name of triazine-4-carboximidamide?
The IUPAC name of triazine-4-carboximidamide (CID 154182712) is triazine-4-carboximidamide.
What is the SMILES notation for triazine-4-carboximidamide?
The canonical SMILES for triazine-4-carboximidamide is [H]/N=C(\N)c1ccnnn1.
What is the InChIKey of triazine-4-carboximidamide?
The InChIKey is DBVBEXDNLXLCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5/c5-4(6)3-1-2-7-9-8-3/h1-2H,(H3,5,6).
What are the key properties of triazine-4-carboximidamide?
triazine-4-carboximidamide has a molecular weight of 123.12 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triazine-4-carboximidamide is sourced from PubChem (CID 154182712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).