3-[5-[1-(1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine

C11H11N7 — CID 50956809

IUPAC3-[5-[1-(1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine
SMILESCC(c1nc(-c2cccnc2)n[nH]1)n1cncn1
InChIInChI=1S/C11H11N7/c1-8(18-7-13-6-14-18)10-15-11(17-16-10)9-3-2-4-12-5-9/h2-8H,1H3,(H,15,16,17)
InChIKeyRZSCBBZSIWDJTC-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.07
Rot. Bonds3

About 3-[5-[1-(1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine

3-[5-[1-(1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 50956809) has the molecular formula C11H11N7 and a molecular weight of 241.26 g/mol. Its IUPAC name is 3-[5-[1-(1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name3-[5-[1-(1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID50956809
Molecular FormulaC11H11N7
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name3-[5-[1-(1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine
SMILESCC(c1nc(-c2cccnc2)n[nH]1)n1cncn1
InChIInChI=1S/C11H11N7/c1-8(18-7-13-6-14-18)10-15-11(17-16-10)9-3-2-4-12-5-9/h2-8H,1H3,(H,15,16,17)
InChIKeyRZSCBBZSIWDJTC-UHFFFAOYSA-N
XLogP1.07
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)butanoic acid
CID 97114136
3-[5-[1-(3-chlorophenoxy)ethyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 50985030
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
5-acetyl-N-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide
CID 46963206
1-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 43817788
2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 73440586
3-[5-(2-bromoethyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 123335634
6,7-dimethyl-4-oxo-N-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]chromene-2-carboxamide
CID 16673481
(2S)-2-(azepan-1-yl)-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 97218734
3-[5-[2-[2-[(1S)-1-phenylethyl]imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 95455784
sodium 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyridine
CID 22564555
2-methyl-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine
CID 61348810

Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 3-[5-[1-(1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine (CID 50956809) is 3-[5-[1-(1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 3-[5-[1-(1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 3-[5-[1-(1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine is CC(c1nc(-c2cccnc2)n[nH]1)n1cncn1.
What is the InChIKey of 3-[5-[1-(1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is RZSCBBZSIWDJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7/c1-8(18-7-13-6-14-18)10-15-11(17-16-10)9-3-2-4-12-5-9/h2-8H,1H3,(H,15,16,17).
What are the key properties of 3-[5-[1-(1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine?
3-[5-[1-(1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 241.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 50956809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).