1,3,5-triazine-2-carboximidamide

C4H5N5 — CID 18358921

IUPAC1,3,5-triazine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncncn1
InChIInChI=1S/C4H5N5/c5-3(6)4-8-1-7-2-9-4/h1-2H,(H3,5,6)
InChIKeyJQODKMLHVTWOQZ-UHFFFAOYSA-N
MW123.12 g/mol
LogP-0.84
Rot. Bonds1

About 1,3,5-triazine-2-carboximidamide

1,3,5-triazine-2-carboximidamide (PubChem CID 18358921) has the molecular formula C4H5N5 and a molecular weight of 123.12 g/mol. Its IUPAC name is 1,3,5-triazine-2-carboximidamide.

Molecular Properties

Compound Name1,3,5-triazine-2-carboximidamide
PubChem CID18358921
Molecular FormulaC4H5N5
Molecular Weight123.12 g/mol
Exact Mass123.05
IUPAC Name1,3,5-triazine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncncn1
InChIInChI=1S/C4H5N5/c5-3(6)4-8-1-7-2-9-4/h1-2H,(H3,5,6)
InChIKeyJQODKMLHVTWOQZ-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

4-Methyl-1,3,5-triazin-2-amine
CID 33971
4-(Trifluoromethyl)-1,3,5-triazin-2-amine
CID 19920908
Bis-triazinyl
CID 20447734
(1,3,5-Triazin-2-YL)methanamine
CID 22639528
1,3,5-Triazin-2-ylmethanediamine
CID 57028845
1,3,5-Triazine-2,4-dimethanamine
CID 68488480
4-(Fluoromethyl)-1,3,5-triazin-2-amine
CID 175936607
2-Imidazol-2-ylium-2-yl-1,3,5-triazine
CID 56997202
6-(1,3,5-triazin-2-yl)-1H-1,3,5-triazin-2-one
CID 57025263
(4-Methyl-1,3,5-triazin-2-yl)azanide;tungsten
CID 57801252
CID 59944332
CID 59944332
4-Amino-1,3,5-triazine-2-carbonitrile
CID 66803206

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine-2-carboximidamide?
The IUPAC name of 1,3,5-triazine-2-carboximidamide (CID 18358921) is 1,3,5-triazine-2-carboximidamide.
What is the SMILES notation for 1,3,5-triazine-2-carboximidamide?
The canonical SMILES for 1,3,5-triazine-2-carboximidamide is [H]/N=C(\N)c1ncncn1.
What is the InChIKey of 1,3,5-triazine-2-carboximidamide?
The InChIKey is JQODKMLHVTWOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5/c5-3(6)4-8-1-7-2-9-4/h1-2H,(H3,5,6).
What are the key properties of 1,3,5-triazine-2-carboximidamide?
1,3,5-triazine-2-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 1,3,5-triazine-2-carboximidamide is sourced from PubChem (CID 18358921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).