5-(6-amino-3-pyridinyl)-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyridin-2-amine

C18H13F2N7 — CID 69035275

IUPAC5-(6-amino-3-pyridinyl)-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESNc1ccc(-c2cnc(N)c(-c3nncn3-c3cccc(F)c3F)c2)cn1
InChIInChI=1S/C18H13F2N7/c19-13-2-1-3-14(16(13)20)27-9-25-26-18(27)12-6-11(8-24-17(12)22)10-4-5-15(21)23-7-10/h1-9H,(H2,21,23)(H2,22,24)
InChIKeyFESFPYMYLMNCMN-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.83
Rot. Bonds3

About 5-(6-amino-3-pyridinyl)-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyridin-2-amine

5-(6-amino-3-pyridinyl)-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyridin-2-amine (PubChem CID 69035275) has the molecular formula C18H13F2N7 and a molecular weight of 365.35 g/mol. Its IUPAC name is 5-(6-amino-3-pyridinyl)-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-(6-amino-3-pyridinyl)-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyridin-2-amine
PubChem CID69035275
Molecular FormulaC18H13F2N7
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name5-(6-amino-3-pyridinyl)-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESNc1ccc(-c2cnc(N)c(-c3nncn3-c3cccc(F)c3F)c2)cn1
InChIInChI=1S/C18H13F2N7/c19-13-2-1-3-14(16(13)20)27-9-25-26-18(27)12-6-11(8-24-17(12)22)10-4-5-15(21)23-7-10/h1-9H,(H2,21,23)(H2,22,24)
InChIKeyFESFPYMYLMNCMN-UHFFFAOYSA-N
XLogP2.83
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-3-pyridinyl)-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyridin-2-amine?
The IUPAC name of 5-(6-amino-3-pyridinyl)-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyridin-2-amine (CID 69035275) is 5-(6-amino-3-pyridinyl)-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 5-(6-amino-3-pyridinyl)-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyridin-2-amine?
The canonical SMILES for 5-(6-amino-3-pyridinyl)-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyridin-2-amine is Nc1ccc(-c2cnc(N)c(-c3nncn3-c3cccc(F)c3F)c2)cn1.
What is the InChIKey of 5-(6-amino-3-pyridinyl)-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyridin-2-amine?
The InChIKey is FESFPYMYLMNCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N7/c19-13-2-1-3-14(16(13)20)27-9-25-26-18(27)12-6-11(8-24-17(12)22)10-4-5-15(21)23-7-10/h1-9H,(H2,21,23)(H2,22,24).
What are the key properties of 5-(6-amino-3-pyridinyl)-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyridin-2-amine?
5-(6-amino-3-pyridinyl)-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyridin-2-amine has a molecular weight of 365.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-3-pyridinyl)-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 69035275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).