4-(1,2,4-triazol-1-yl)butanimidamide

C6H11N5 — CID 24700917

IUPAC4-(1,2,4-triazol-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCCn1cncn1
InChIInChI=1S/C6H11N5/c7-6(8)2-1-3-11-5-9-4-10-11/h4-5H,1-3H2,(H3,7,8)
InChIKeyVWNNYTDRBXWNNH-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.01
Rot. Bonds4

About 4-(1,2,4-triazol-1-yl)butanimidamide

4-(1,2,4-triazol-1-yl)butanimidamide (PubChem CID 24700917) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is 4-(1,2,4-triazol-1-yl)butanimidamide.

Molecular Properties

Compound Name4-(1,2,4-triazol-1-yl)butanimidamide
PubChem CID24700917
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC Name4-(1,2,4-triazol-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCCn1cncn1
InChIInChI=1S/C6H11N5/c7-6(8)2-1-3-11-5-9-4-10-11/h4-5H,1-3H2,(H3,7,8)
InChIKeyVWNNYTDRBXWNNH-UHFFFAOYSA-N
XLogP-0.01
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.01
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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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-triazol-1-yl)butanimidamide?
The IUPAC name of 4-(1,2,4-triazol-1-yl)butanimidamide (CID 24700917) is 4-(1,2,4-triazol-1-yl)butanimidamide.
What is the SMILES notation for 4-(1,2,4-triazol-1-yl)butanimidamide?
The canonical SMILES for 4-(1,2,4-triazol-1-yl)butanimidamide is [H]/N=C(\N)CCCn1cncn1.
What is the InChIKey of 4-(1,2,4-triazol-1-yl)butanimidamide?
The InChIKey is VWNNYTDRBXWNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5/c7-6(8)2-1-3-11-5-9-4-10-11/h4-5H,1-3H2,(H3,7,8).
What are the key properties of 4-(1,2,4-triazol-1-yl)butanimidamide?
4-(1,2,4-triazol-1-yl)butanimidamide has a molecular weight of 153.19 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-triazol-1-yl)butanimidamide is sourced from PubChem (CID 24700917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).