5-iodo-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyrazin-2-amine

C10H13IN6 — CID 139018469

IUPAC5-iodo-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyrazin-2-amine
SMILESCC(CNc1cnc(I)cn1)c1nncn1C
InChIInChI=1S/C10H13IN6/c1-7(10-16-15-6-17(10)2)3-13-9-5-12-8(11)4-14-9/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyVRJKYYLAGMNWLK-UHFFFAOYSA-N
MW344.16 g/mol
LogP1.43
Rot. Bonds4

About 5-iodo-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyrazin-2-amine

5-iodo-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyrazin-2-amine (PubChem CID 139018469) has the molecular formula C10H13IN6 and a molecular weight of 344.16 g/mol. Its IUPAC name is 5-iodo-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-iodo-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyrazin-2-amine
PubChem CID139018469
Molecular FormulaC10H13IN6
Molecular Weight344.16 g/mol
Exact Mass344.02
IUPAC Name5-iodo-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyrazin-2-amine
SMILESCC(CNc1cnc(I)cn1)c1nncn1C
InChIInChI=1S/C10H13IN6/c1-7(10-16-15-6-17(10)2)3-13-9-5-12-8(11)4-14-9/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyVRJKYYLAGMNWLK-UHFFFAOYSA-N
XLogP1.43
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-iodo-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyrazin-2-amine 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 5-iodo-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyrazin-2-amine?
The IUPAC name of 5-iodo-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyrazin-2-amine (CID 139018469) is 5-iodo-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyrazin-2-amine.
What is the SMILES notation for 5-iodo-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyrazin-2-amine?
The canonical SMILES for 5-iodo-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyrazin-2-amine is CC(CNc1cnc(I)cn1)c1nncn1C.
What is the InChIKey of 5-iodo-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyrazin-2-amine?
The InChIKey is VRJKYYLAGMNWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN6/c1-7(10-16-15-6-17(10)2)3-13-9-5-12-8(11)4-14-9/h4-7H,3H2,1-2H3,(H,13,14).
What are the key properties of 5-iodo-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyrazin-2-amine?
5-iodo-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyrazin-2-amine has a molecular weight of 344.16 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyrazin-2-amine is sourced from PubChem (CID 139018469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).