3-(1,2,4-triazol-4-yl)propanimidamide

C5H9N5 — CID 55265191

IUPAC3-(1,2,4-triazol-4-yl)propanimidamide
SMILES[H]/N=C(\N)CCn1cnnc1
InChIInChI=1S/C5H9N5/c6-5(7)1-2-10-3-8-9-4-10/h3-4H,1-2H2,(H3,6,7)
InChIKeyBDTYQRYAPWNGAV-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.40
Rot. Bonds3

About 3-(1,2,4-triazol-4-yl)propanimidamide

3-(1,2,4-triazol-4-yl)propanimidamide (PubChem CID 55265191) has the molecular formula C5H9N5 and a molecular weight of 139.16 g/mol. Its IUPAC name is 3-(1,2,4-triazol-4-yl)propanimidamide.

Molecular Properties

Compound Name3-(1,2,4-triazol-4-yl)propanimidamide
PubChem CID55265191
Molecular FormulaC5H9N5
Molecular Weight139.16 g/mol
Exact Mass139.09
IUPAC Name3-(1,2,4-triazol-4-yl)propanimidamide
SMILES[H]/N=C(\N)CCn1cnnc1
InChIInChI=1S/C5H9N5/c6-5(7)1-2-10-3-8-9-4-10/h3-4H,1-2H2,(H3,6,7)
InChIKeyBDTYQRYAPWNGAV-UHFFFAOYSA-N
XLogP-0.40
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.40
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 3-(1,2,4-triazol-4-yl)propanimidamide?
The IUPAC name of 3-(1,2,4-triazol-4-yl)propanimidamide (CID 55265191) is 3-(1,2,4-triazol-4-yl)propanimidamide.
What is the SMILES notation for 3-(1,2,4-triazol-4-yl)propanimidamide?
The canonical SMILES for 3-(1,2,4-triazol-4-yl)propanimidamide is [H]/N=C(\N)CCn1cnnc1.
What is the InChIKey of 3-(1,2,4-triazol-4-yl)propanimidamide?
The InChIKey is BDTYQRYAPWNGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5/c6-5(7)1-2-10-3-8-9-4-10/h3-4H,1-2H2,(H3,6,7).
What are the key properties of 3-(1,2,4-triazol-4-yl)propanimidamide?
3-(1,2,4-triazol-4-yl)propanimidamide has a molecular weight of 139.16 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-triazol-4-yl)propanimidamide is sourced from PubChem (CID 55265191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).