6-(2-chloro-4-pyridinyl)-2H-triazin-1-amine

C8H8ClN5 — CID 90338822

IUPAC6-(2-chloro-4-pyridinyl)-2H-triazin-1-amine
SMILESNN1NN=CC=C1c1ccnc(Cl)c1
InChIInChI=1S/C8H8ClN5/c9-8-5-6(1-3-11-8)7-2-4-12-13-14(7)10/h1-5,13H,10H2
InChIKeyRTTDCCPOEITYGO-UHFFFAOYSA-N
MW209.64 g/mol
LogP0.76
Rot. Bonds1

About 6-(2-chloro-4-pyridinyl)-2H-triazin-1-amine

6-(2-chloro-4-pyridinyl)-2H-triazin-1-amine (PubChem CID 90338822) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is 6-(2-chloro-4-pyridinyl)-2H-triazin-1-amine.

Molecular Properties

Compound Name6-(2-chloro-4-pyridinyl)-2H-triazin-1-amine
PubChem CID90338822
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name6-(2-chloro-4-pyridinyl)-2H-triazin-1-amine
SMILESNN1NN=CC=C1c1ccnc(Cl)c1
InChIInChI=1S/C8H8ClN5/c9-8-5-6(1-3-11-8)7-2-4-12-13-14(7)10/h1-5,13H,10H2
InChIKeyRTTDCCPOEITYGO-UHFFFAOYSA-N
XLogP0.76
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-pyridinyl)-2H-triazin-1-amine?
The IUPAC name of 6-(2-chloro-4-pyridinyl)-2H-triazin-1-amine (CID 90338822) is 6-(2-chloro-4-pyridinyl)-2H-triazin-1-amine.
What is the SMILES notation for 6-(2-chloro-4-pyridinyl)-2H-triazin-1-amine?
The canonical SMILES for 6-(2-chloro-4-pyridinyl)-2H-triazin-1-amine is NN1NN=CC=C1c1ccnc(Cl)c1.
What is the InChIKey of 6-(2-chloro-4-pyridinyl)-2H-triazin-1-amine?
The InChIKey is RTTDCCPOEITYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c9-8-5-6(1-3-11-8)7-2-4-12-13-14(7)10/h1-5,13H,10H2.
What are the key properties of 6-(2-chloro-4-pyridinyl)-2H-triazin-1-amine?
6-(2-chloro-4-pyridinyl)-2H-triazin-1-amine has a molecular weight of 209.64 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-pyridinyl)-2H-triazin-1-amine is sourced from PubChem (CID 90338822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).