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

C14H13N9 — CID 72895123

IUPAC3-[5-[2-[4-(1H-imidazol-2-yl)triazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine
SMILESc1cncc(-c2n[nH]c(CCn3cc(-c4ncc[nH]4)nn3)n2)c1
InChIInChI=1S/C14H13N9/c1-2-10(8-15-4-1)13-18-12(20-21-13)3-7-23-9-11(19-22-23)14-16-5-6-17-14/h1-2,4-6,8-9H,3,7H2,(H,16,17)(H,18,20,21)
InChIKeyAOCXHPACXSUOGY-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.09
Rot. Bonds5

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

3-[5-[2-[4-(1H-imidazol-2-yl)triazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 72895123) has the molecular formula C14H13N9 and a molecular weight of 307.32 g/mol. Its IUPAC name is 3-[5-[2-[4-(1H-imidazol-2-yl)triazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name3-[5-[2-[4-(1H-imidazol-2-yl)triazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID72895123
Molecular FormulaC14H13N9
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Name3-[5-[2-[4-(1H-imidazol-2-yl)triazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine
SMILESc1cncc(-c2n[nH]c(CCn3cc(-c4ncc[nH]4)nn3)n2)c1
InChIInChI=1S/C14H13N9/c1-2-10(8-15-4-1)13-18-12(20-21-13)3-7-23-9-11(19-22-23)14-16-5-6-17-14/h1-2,4-6,8-9H,3,7H2,(H,16,17)(H,18,20,21)
InChIKeyAOCXHPACXSUOGY-UHFFFAOYSA-N
XLogP1.09
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[4-(1H-imidazol-2-yl)triazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 3-[5-[2-[4-(1H-imidazol-2-yl)triazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine (CID 72895123) is 3-[5-[2-[4-(1H-imidazol-2-yl)triazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 3-[5-[2-[4-(1H-imidazol-2-yl)triazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 3-[5-[2-[4-(1H-imidazol-2-yl)triazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine is c1cncc(-c2n[nH]c(CCn3cc(-c4ncc[nH]4)nn3)n2)c1.
What is the InChIKey of 3-[5-[2-[4-(1H-imidazol-2-yl)triazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is AOCXHPACXSUOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N9/c1-2-10(8-15-4-1)13-18-12(20-21-13)3-7-23-9-11(19-22-23)14-16-5-6-17-14/h1-2,4-6,8-9H,3,7H2,(H,16,17)(H,18,20,21).
What are the key properties of 3-[5-[2-[4-(1H-imidazol-2-yl)triazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine?
3-[5-[2-[4-(1H-imidazol-2-yl)triazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 307.32 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[4-(1H-imidazol-2-yl)triazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 72895123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).