3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(4-methyltriazol-2-yl)pyrazine-2-carboxamide

C15H12ClF2N7O — CID 121351110

IUPAC3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(4-methyltriazol-2-yl)pyrazine-2-carboxamide
SMILESCc1cnn(-c2nc(N)c(C(=O)NCc3ccc(F)cc3F)nc2Cl)n1
InChIInChI=1S/C15H12ClF2N7O/c1-7-5-21-25(24-7)14-12(16)22-11(13(19)23-14)15(26)20-6-8-2-3-9(17)4-10(8)18/h2-5H,6H2,1H3,(H2,19,23)(H,20,26)
InChIKeyPHSBLTZTXIODCY-UHFFFAOYSA-N
MW379.76 g/mol
LogP1.81
Rot. Bonds4

About 3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(4-methyltriazol-2-yl)pyrazine-2-carboxamide

3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(4-methyltriazol-2-yl)pyrazine-2-carboxamide (PubChem CID 121351110) has the molecular formula C15H12ClF2N7O and a molecular weight of 379.76 g/mol. Its IUPAC name is 3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(4-methyltriazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(4-methyltriazol-2-yl)pyrazine-2-carboxamide
PubChem CID121351110
Molecular FormulaC15H12ClF2N7O
Molecular Weight379.76 g/mol
Exact Mass379.08
IUPAC Name3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(4-methyltriazol-2-yl)pyrazine-2-carboxamide
SMILESCc1cnn(-c2nc(N)c(C(=O)NCc3ccc(F)cc3F)nc2Cl)n1
InChIInChI=1S/C15H12ClF2N7O/c1-7-5-21-25(24-7)14-12(16)22-11(13(19)23-14)15(26)20-6-8-2-3-9(17)4-10(8)18/h2-5H,6H2,1H3,(H2,19,23)(H,20,26)
InChIKeyPHSBLTZTXIODCY-UHFFFAOYSA-N
XLogP1.81
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.76
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(4-methyltriazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(4-methyltriazol-2-yl)pyrazine-2-carboxamide (CID 121351110) is 3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(4-methyltriazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(4-methyltriazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(4-methyltriazol-2-yl)pyrazine-2-carboxamide is Cc1cnn(-c2nc(N)c(C(=O)NCc3ccc(F)cc3F)nc2Cl)n1.
What is the InChIKey of 3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(4-methyltriazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is PHSBLTZTXIODCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N7O/c1-7-5-21-25(24-7)14-12(16)22-11(13(19)23-14)15(26)20-6-8-2-3-9(17)4-10(8)18/h2-5H,6H2,1H3,(H2,19,23)(H,20,26).
What are the key properties of 3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(4-methyltriazol-2-yl)pyrazine-2-carboxamide?
3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(4-methyltriazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 379.76 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(4-methyltriazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 121351110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).