3,5,6-trichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine

C9H8Cl3N5 — CID 106195168

IUPAC3,5,6-trichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
SMILESClc1cc(Cl)c(NCCc2ncn[nH]2)nc1Cl
InChIInChI=1S/C9H8Cl3N5/c10-5-3-6(11)9(16-8(5)12)13-2-1-7-14-4-15-17-7/h3-4H,1-2H2,(H,13,16)(H,14,15,17)
InChIKeyNWAXOYUUFGJDIY-UHFFFAOYSA-N
MW292.56 g/mol
LogP2.81
Rot. Bonds4

About 3,5,6-trichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine

3,5,6-trichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine (PubChem CID 106195168) has the molecular formula C9H8Cl3N5 and a molecular weight of 292.56 g/mol. Its IUPAC name is 3,5,6-trichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
PubChem CID106195168
Molecular FormulaC9H8Cl3N5
Molecular Weight292.56 g/mol
Exact Mass290.98
IUPAC Name3,5,6-trichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
SMILESClc1cc(Cl)c(NCCc2ncn[nH]2)nc1Cl
InChIInChI=1S/C9H8Cl3N5/c10-5-3-6(11)9(16-8(5)12)13-2-1-7-14-4-15-17-7/h3-4H,1-2H2,(H,13,16)(H,14,15,17)
InChIKeyNWAXOYUUFGJDIY-UHFFFAOYSA-N
XLogP2.81
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106195152
3-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazin-2-amine
CID 106195203
6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 103820075
6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 114156733
6-chloro-3-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106195183
3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine
CID 114156826
6-chloro-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine
CID 104924795
1-[2-(1H-1,2,4-triazol-5-yl)ethylamino]isoquinolin-7-ol
CID 106538776
3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 102750907
6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazin-3-amine
CID 64532057
2-chloro-6-methyl-5-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106195182
N-but-3-enyl-3,5,6-trichloropyridin-2-amine
CID 106196171

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine (CID 106195168) is 3,5,6-trichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine is Clc1cc(Cl)c(NCCc2ncn[nH]2)nc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The InChIKey is NWAXOYUUFGJDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3N5/c10-5-3-6(11)9(16-8(5)12)13-2-1-7-14-4-15-17-7/h3-4H,1-2H2,(H,13,16)(H,14,15,17).
What are the key properties of 3,5,6-trichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
3,5,6-trichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine has a molecular weight of 292.56 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 106195168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).