2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine

C15H18N8 — CID 90406923

IUPAC2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine
SMILESc1cc(-c2nn[nH]n2)cc(-c2cn(CCN3CCCC3)cn2)n1
InChIInChI=1S/C15H18N8/c1-2-6-22(5-1)7-8-23-10-14(17-11-23)13-9-12(3-4-16-13)15-18-20-21-19-15/h3-4,9-11H,1-2,5-8H2,(H,18,19,20,21)
InChIKeyGGAYQPAKFUJHFR-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.22
Rot. Bonds5

About 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine

2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine (PubChem CID 90406923) has the molecular formula C15H18N8 and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine
PubChem CID90406923
Molecular FormulaC15H18N8
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine
SMILESc1cc(-c2nn[nH]n2)cc(-c2cn(CCN3CCCC3)cn2)n1
InChIInChI=1S/C15H18N8/c1-2-6-22(5-1)7-8-23-10-14(17-11-23)13-9-12(3-4-16-13)15-18-20-21-19-15/h3-4,9-11H,1-2,5-8H2,(H,18,19,20,21)
InChIKeyGGAYQPAKFUJHFR-UHFFFAOYSA-N
XLogP1.22
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine (CID 90406923) is 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine is c1cc(-c2nn[nH]n2)cc(-c2cn(CCN3CCCC3)cn2)n1.
What is the InChIKey of 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine?
The InChIKey is GGAYQPAKFUJHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8/c1-2-6-22(5-1)7-8-23-10-14(17-11-23)13-9-12(3-4-16-13)15-18-20-21-19-15/h3-4,9-11H,1-2,5-8H2,(H,18,19,20,21).
What are the key properties of 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine?
2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine has a molecular weight of 310.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 90406923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).