2-N-[(2,3-difluorophenyl)methyl]-6-(1-methylindazol-6-yl)-1,3,5-triazine-2,4-diamine

C18H15F2N7 — CID 167249772

IUPAC2-N-[(2,3-difluorophenyl)methyl]-6-(1-methylindazol-6-yl)-1,3,5-triazine-2,4-diamine
SMILESCn1ncc2ccc(-c3nc(N)nc(NCc4cccc(F)c4F)n3)cc21
InChIInChI=1S/C18H15F2N7/c1-27-14-7-10(5-6-11(14)9-23-27)16-24-17(21)26-18(25-16)22-8-12-3-2-4-13(19)15(12)20/h2-7,9H,8H2,1H3,(H3,21,22,24,25,26)
InChIKeyVIPHCOCJJHTKDH-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.90
Rot. Bonds4

About 2-N-[(2,3-difluorophenyl)methyl]-6-(1-methylindazol-6-yl)-1,3,5-triazine-2,4-diamine

2-N-[(2,3-difluorophenyl)methyl]-6-(1-methylindazol-6-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 167249772) has the molecular formula C18H15F2N7 and a molecular weight of 367.36 g/mol. Its IUPAC name is 2-N-[(2,3-difluorophenyl)methyl]-6-(1-methylindazol-6-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2,3-difluorophenyl)methyl]-6-(1-methylindazol-6-yl)-1,3,5-triazine-2,4-diamine
PubChem CID167249772
Molecular FormulaC18H15F2N7
Molecular Weight367.36 g/mol
Exact Mass367.14
IUPAC Name2-N-[(2,3-difluorophenyl)methyl]-6-(1-methylindazol-6-yl)-1,3,5-triazine-2,4-diamine
SMILESCn1ncc2ccc(-c3nc(N)nc(NCc4cccc(F)c4F)n3)cc21
InChIInChI=1S/C18H15F2N7/c1-27-14-7-10(5-6-11(14)9-23-27)16-24-17(21)26-18(25-16)22-8-12-3-2-4-13(19)15(12)20/h2-7,9H,8H2,1H3,(H3,21,22,24,25,26)
InChIKeyVIPHCOCJJHTKDH-UHFFFAOYSA-N
XLogP2.90
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,3-difluorophenyl)methyl]-6-(1-methylindazol-6-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(2,3-difluorophenyl)methyl]-6-(1-methylindazol-6-yl)-1,3,5-triazine-2,4-diamine (CID 167249772) is 2-N-[(2,3-difluorophenyl)methyl]-6-(1-methylindazol-6-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(2,3-difluorophenyl)methyl]-6-(1-methylindazol-6-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(2,3-difluorophenyl)methyl]-6-(1-methylindazol-6-yl)-1,3,5-triazine-2,4-diamine is Cn1ncc2ccc(-c3nc(N)nc(NCc4cccc(F)c4F)n3)cc21.
What is the InChIKey of 2-N-[(2,3-difluorophenyl)methyl]-6-(1-methylindazol-6-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VIPHCOCJJHTKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N7/c1-27-14-7-10(5-6-11(14)9-23-27)16-24-17(21)26-18(25-16)22-8-12-3-2-4-13(19)15(12)20/h2-7,9H,8H2,1H3,(H3,21,22,24,25,26).
What are the key properties of 2-N-[(2,3-difluorophenyl)methyl]-6-(1-methylindazol-6-yl)-1,3,5-triazine-2,4-diamine?
2-N-[(2,3-difluorophenyl)methyl]-6-(1-methylindazol-6-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 367.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2,3-difluorophenyl)methyl]-6-(1-methylindazol-6-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 167249772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).