6-chloro-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine

C9H11ClN6 — CID 104924795

IUPAC6-chloro-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine
SMILESNc1cc(Cl)nc(NCCc2ncn[nH]2)c1
InChIInChI=1S/C9H11ClN6/c10-7-3-6(11)4-9(15-7)12-2-1-8-13-5-14-16-8/h3-5H,1-2H2,(H3,11,12,15)(H,13,14,16)
InChIKeyJLPSBPACQRUABT-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.09
Rot. Bonds4

About 6-chloro-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine

6-chloro-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine (PubChem CID 104924795) has the molecular formula C9H11ClN6 and a molecular weight of 238.68 g/mol. Its IUPAC name is 6-chloro-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine
PubChem CID104924795
Molecular FormulaC9H11ClN6
Molecular Weight238.68 g/mol
Exact Mass238.07
IUPAC Name6-chloro-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine
SMILESNc1cc(Cl)nc(NCCc2ncn[nH]2)c1
InChIInChI=1S/C9H11ClN6/c10-7-3-6(11)4-9(15-7)12-2-1-8-13-5-14-16-8/h3-5H,1-2H2,(H3,11,12,15)(H,13,14,16)
InChIKeyJLPSBPACQRUABT-UHFFFAOYSA-N
XLogP1.09
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

2,6-difluoro-1-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzene-1,4-diamine
CID 64546285
6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazin-3-amine
CID 64532057
4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzene-1,2,4-triamine
CID 106750886
3,5,6-trichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106195168
6-methyl-2-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 64532455
3-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazin-2-amine
CID 106195203
2,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106195152
6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine
CID 104923773
6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine
CID 104923902
6-chloro-2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 114156731
6-chloro-2-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2,4-diamine
CID 103081629
6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine
CID 64548244

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine (CID 104924795) is 6-chloro-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine is Nc1cc(Cl)nc(NCCc2ncn[nH]2)c1.
What is the InChIKey of 6-chloro-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine?
The InChIKey is JLPSBPACQRUABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN6/c10-7-3-6(11)4-9(15-7)12-2-1-8-13-5-14-16-8/h3-5H,1-2H2,(H3,11,12,15)(H,13,14,16).
What are the key properties of 6-chloro-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine?
6-chloro-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine has a molecular weight of 238.68 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine is sourced from PubChem (CID 104924795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).