2-(2,6-dichloro-3-pyridinyl)-5-methyltriazol-4-amine

C8H7Cl2N5 — CID 97057734

IUPAC2-(2,6-dichloro-3-pyridinyl)-5-methyltriazol-4-amine
SMILESCc1nn(-c2ccc(Cl)nc2Cl)nc1N
InChIInChI=1S/C8H7Cl2N5/c1-4-8(11)14-15(13-4)5-2-3-6(9)12-7(5)10/h2-3H,1H3,(H2,11,14)
InChIKeyZOLIIGPNIUHSHI-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.86
Rot. Bonds1

About 2-(2,6-dichloro-3-pyridinyl)-5-methyltriazol-4-amine

2-(2,6-dichloro-3-pyridinyl)-5-methyltriazol-4-amine (PubChem CID 97057734) has the molecular formula C8H7Cl2N5 and a molecular weight of 244.09 g/mol. Its IUPAC name is 2-(2,6-dichloro-3-pyridinyl)-5-methyltriazol-4-amine.

Molecular Properties

Compound Name2-(2,6-dichloro-3-pyridinyl)-5-methyltriazol-4-amine
PubChem CID97057734
Molecular FormulaC8H7Cl2N5
Molecular Weight244.09 g/mol
Exact Mass243.01
IUPAC Name2-(2,6-dichloro-3-pyridinyl)-5-methyltriazol-4-amine
SMILESCc1nn(-c2ccc(Cl)nc2Cl)nc1N
InChIInChI=1S/C8H7Cl2N5/c1-4-8(11)14-15(13-4)5-2-3-6(9)12-7(5)10/h2-3H,1H3,(H2,11,14)
InChIKeyZOLIIGPNIUHSHI-UHFFFAOYSA-N
XLogP1.86
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-3-pyridinyl)-5-methyltriazol-4-amine?
The IUPAC name of 2-(2,6-dichloro-3-pyridinyl)-5-methyltriazol-4-amine (CID 97057734) is 2-(2,6-dichloro-3-pyridinyl)-5-methyltriazol-4-amine.
What is the SMILES notation for 2-(2,6-dichloro-3-pyridinyl)-5-methyltriazol-4-amine?
The canonical SMILES for 2-(2,6-dichloro-3-pyridinyl)-5-methyltriazol-4-amine is Cc1nn(-c2ccc(Cl)nc2Cl)nc1N.
What is the InChIKey of 2-(2,6-dichloro-3-pyridinyl)-5-methyltriazol-4-amine?
The InChIKey is ZOLIIGPNIUHSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N5/c1-4-8(11)14-15(13-4)5-2-3-6(9)12-7(5)10/h2-3H,1H3,(H2,11,14).
What are the key properties of 2-(2,6-dichloro-3-pyridinyl)-5-methyltriazol-4-amine?
2-(2,6-dichloro-3-pyridinyl)-5-methyltriazol-4-amine has a molecular weight of 244.09 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-3-pyridinyl)-5-methyltriazol-4-amine is sourced from PubChem (CID 97057734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).