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

C17H13F2N7 — CID 167249785

IUPAC2-N-[(2,3-difluorophenyl)methyl]-6-(1H-indazol-5-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCc2cccc(F)c2F)nc(-c2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C17H13F2N7/c18-12-3-1-2-10(14(12)19)7-21-17-24-15(23-16(20)25-17)9-4-5-13-11(6-9)8-22-26-13/h1-6,8H,7H2,(H,22,26)(H3,20,21,23,24,25)
InChIKeyMPSPKNBCCPNLGO-UHFFFAOYSA-N
MW353.34 g/mol
LogP2.89
Rot. Bonds4

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

2-N-[(2,3-difluorophenyl)methyl]-6-(1H-indazol-5-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 167249785) has the molecular formula C17H13F2N7 and a molecular weight of 353.34 g/mol. Its IUPAC name is 2-N-[(2,3-difluorophenyl)methyl]-6-(1H-indazol-5-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2,3-difluorophenyl)methyl]-6-(1H-indazol-5-yl)-1,3,5-triazine-2,4-diamine
PubChem CID167249785
Molecular FormulaC17H13F2N7
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Name2-N-[(2,3-difluorophenyl)methyl]-6-(1H-indazol-5-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCc2cccc(F)c2F)nc(-c2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C17H13F2N7/c18-12-3-1-2-10(14(12)19)7-21-17-24-15(23-16(20)25-17)9-4-5-13-11(6-9)8-22-26-13/h1-6,8H,7H2,(H,22,26)(H3,20,21,23,24,25)
InChIKeyMPSPKNBCCPNLGO-UHFFFAOYSA-N
XLogP2.89
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N-[(2,3-difluorophenyl)methyl]-6-(1H-indazol-5-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-[(2,3-difluorophenyl)methyl]-4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-amine
CID 162683473
6-(1H-indazol-6-yl)-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 167249982
2-N-[2-(2,3-difluorophenyl)propan-2-yl]-6-(1H-indazol-6-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 166163946
6-(1H-indazol-6-yl)-2-N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 166164105
5-(7-fluoro-1-benzofuran-2-yl)-1H-indazole
CID 166359737
N-[5-(2,3-difluorophenyl)-2-pyridinyl]-1H-indazol-5-amine
CID 162631226
6-N-[(5-bromo-2-fluorophenyl)methyl]-1H-indazole-5,6-diamine
CID 107489222
[2-(1H-indazol-5-yl)phenyl]methanol
CID 56711805
N-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine
CID 122589652
N-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine
CID 114217557
4-(1H-indazol-5-yl)pyrimidin-2-amine
CID 54420708
2-fluoro-3-[(1H-pyrazolo[3,4-b]pyridin-5-ylamino)methyl]phenol
CID 167775407

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,3-difluorophenyl)methyl]-6-(1H-indazol-5-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(2,3-difluorophenyl)methyl]-6-(1H-indazol-5-yl)-1,3,5-triazine-2,4-diamine (CID 167249785) is 2-N-[(2,3-difluorophenyl)methyl]-6-(1H-indazol-5-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(2,3-difluorophenyl)methyl]-6-(1H-indazol-5-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(2,3-difluorophenyl)methyl]-6-(1H-indazol-5-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(NCc2cccc(F)c2F)nc(-c2ccc3[nH]ncc3c2)n1.
What is the InChIKey of 2-N-[(2,3-difluorophenyl)methyl]-6-(1H-indazol-5-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MPSPKNBCCPNLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N7/c18-12-3-1-2-10(14(12)19)7-21-17-24-15(23-16(20)25-17)9-4-5-13-11(6-9)8-22-26-13/h1-6,8H,7H2,(H,22,26)(H3,20,21,23,24,25).
What are the key properties of 2-N-[(2,3-difluorophenyl)methyl]-6-(1H-indazol-5-yl)-1,3,5-triazine-2,4-diamine?
2-N-[(2,3-difluorophenyl)methyl]-6-(1H-indazol-5-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 353.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2,3-difluorophenyl)methyl]-6-(1H-indazol-5-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 167249785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).