2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboximidamide

C8H14N6 — CID 130600998

IUPAC2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC1c1nncn1C
InChIInChI=1S/C8H14N6/c1-13-5-11-12-7(13)6-3-2-4-14(6)8(9)10/h5-6H,2-4H2,1H3,(H3,9,10)
InChIKeyPYMZPAFKDOTYDN-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.15
Rot. Bonds1

About 2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboximidamide

2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboximidamide (PubChem CID 130600998) has the molecular formula C8H14N6 and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboximidamide
PubChem CID130600998
Molecular FormulaC8H14N6
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC1c1nncn1C
InChIInChI=1S/C8H14N6/c1-13-5-11-12-7(13)6-3-2-4-14(6)8(9)10/h5-6H,2-4H2,1H3,(H3,9,10)
InChIKeyPYMZPAFKDOTYDN-UHFFFAOYSA-N
XLogP-0.15
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.15
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'}

Analyze 2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboximidamide?
The IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboximidamide (CID 130600998) is 2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for 2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboximidamide?
The canonical SMILES for 2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CCCC1c1nncn1C.
What is the InChIKey of 2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboximidamide?
The InChIKey is PYMZPAFKDOTYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6/c1-13-5-11-12-7(13)6-3-2-4-14(6)8(9)10/h5-6H,2-4H2,1H3,(H3,9,10).
What are the key properties of 2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboximidamide?
2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboximidamide has a molecular weight of 194.24 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 130600998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).