3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine

C16H12F2N8 — CID 58180006

IUPAC3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine
SMILESCn1cncc1-c1cnc(N)c(-c2nnnn2-c2cccc(F)c2F)c1
InChIInChI=1S/C16H12F2N8/c1-25-8-20-7-13(25)9-5-10(15(19)21-6-9)16-22-23-24-26(16)12-4-2-3-11(17)14(12)18/h2-8H,1H3,(H2,19,21)
InChIKeyUORXTFVZLYBKNO-UHFFFAOYSA-N
MW354.32 g/mol
LogP1.99
Rot. Bonds3

About 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine

3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine (PubChem CID 58180006) has the molecular formula C16H12F2N8 and a molecular weight of 354.32 g/mol. Its IUPAC name is 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine
PubChem CID58180006
Molecular FormulaC16H12F2N8
Molecular Weight354.32 g/mol
Exact Mass354.12
IUPAC Name3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine
SMILESCn1cncc1-c1cnc(N)c(-c2nnnn2-c2cccc(F)c2F)c1
InChIInChI=1S/C16H12F2N8/c1-25-8-20-7-13(25)9-5-10(15(19)21-6-9)16-22-23-24-26(16)12-4-2-3-11(17)14(12)18/h2-8H,1H3,(H2,19,21)
InChIKeyUORXTFVZLYBKNO-UHFFFAOYSA-N
XLogP1.99
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine (CID 58180006) is 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine is Cn1cncc1-c1cnc(N)c(-c2nnnn2-c2cccc(F)c2F)c1.
What is the InChIKey of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine?
The InChIKey is UORXTFVZLYBKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N8/c1-25-8-20-7-13(25)9-5-10(15(19)21-6-9)16-22-23-24-26(16)12-4-2-3-11(17)14(12)18/h2-8H,1H3,(H2,19,21).
What are the key properties of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine?
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine has a molecular weight of 354.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 58180006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).