5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine

C9H6ClN7O — CID 103442682

IUPAC5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nc(-c3ncccc3Cl)no2)n1
InChIInChI=1S/C9H6ClN7O/c10-4-2-1-3-12-5(4)6-13-8(18-17-6)7-14-9(11)16-15-7/h1-3H,(H3,11,14,15,16)
InChIKeyIIWHCSKQTUCDQF-UHFFFAOYSA-N
MW263.65 g/mol
LogP1.15
Rot. Bonds2

About 5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine

5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 103442682) has the molecular formula C9H6ClN7O and a molecular weight of 263.65 g/mol. Its IUPAC name is 5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
PubChem CID103442682
Molecular FormulaC9H6ClN7O
Molecular Weight263.65 g/mol
Exact Mass263.03
IUPAC Name5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nc(-c3ncccc3Cl)no2)n1
InChIInChI=1S/C9H6ClN7O/c10-4-2-1-3-12-5(4)6-13-8(18-17-6)7-14-9(11)16-15-7/h1-3H,(H3,11,14,15,16)
InChIKeyIIWHCSKQTUCDQF-UHFFFAOYSA-N
XLogP1.15
TPSA119.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine with MolForge

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Related Compounds

4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 103442626
4-chloro-3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 103442570
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 103442788
5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 62793211
5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136847807
[3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 103442621
5-(3-fluoro-2-pyridinyl)-1H-1,2,4-triazol-3-amine
CID 169499714
4-benzyl-6-[5-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,3,5-triazin-2-amine
CID 149475224
N-tert-butyl-3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-amine
CID 103445283
5-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 106818724
3-chloro-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63722767
5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 55115296

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (CID 103442682) is 5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2nc(-c3ncccc3Cl)no2)n1.
What is the InChIKey of 5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is IIWHCSKQTUCDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN7O/c10-4-2-1-3-12-5(4)6-13-8(18-17-6)7-14-9(11)16-15-7/h1-3H,(H3,11,14,15,16).
What are the key properties of 5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 263.65 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 103442682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).