5-[3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-triazin-6-yl]-1H-indazol-3-amine

C20H20FN7 — CID 54590833

IUPAC5-[3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-triazin-6-yl]-1H-indazol-3-amine
SMILESCC(C)(CNc1ncc(-c2ccc3[nH]nc(N)c3c2)nn1)c1ccc(F)cc1
InChIInChI=1S/C20H20FN7/c1-20(2,13-4-6-14(21)7-5-13)11-24-19-23-10-17(26-28-19)12-3-8-16-15(9-12)18(22)27-25-16/h3-10H,11H2,1-2H3,(H3,22,25,27)(H,23,24,28)
InChIKeyHYZZYNJWAHOEFA-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.53
Rot. Bonds5

About 5-[3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-triazin-6-yl]-1H-indazol-3-amine

5-[3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-triazin-6-yl]-1H-indazol-3-amine (PubChem CID 54590833) has the molecular formula C20H20FN7 and a molecular weight of 377.43 g/mol. Its IUPAC name is 5-[3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-triazin-6-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5-[3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-triazin-6-yl]-1H-indazol-3-amine
PubChem CID54590833
Molecular FormulaC20H20FN7
Molecular Weight377.43 g/mol
Exact Mass377.18
IUPAC Name5-[3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-triazin-6-yl]-1H-indazol-3-amine
SMILESCC(C)(CNc1ncc(-c2ccc3[nH]nc(N)c3c2)nn1)c1ccc(F)cc1
InChIInChI=1S/C20H20FN7/c1-20(2,13-4-6-14(21)7-5-13)11-24-19-23-10-17(26-28-19)12-3-8-16-15(9-12)18(22)27-25-16/h3-10H,11H2,1-2H3,(H3,22,25,27)(H,23,24,28)
InChIKeyHYZZYNJWAHOEFA-UHFFFAOYSA-N
XLogP3.53
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-triazin-6-yl]-1H-indazol-3-amine with MolForge

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Related Compounds

6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-triazin-3-amine
CID 118368939
5-(4-tert-butylphenyl)-1H-indazol-3-amine
CID 11658999
4-[2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]benzamide
CID 54591637
5-[2-[[4-(trifluoromethyl)phenyl]methylamino]-4-pyridinyl]-1H-indazol-3-amine
CID 172570883
6-(2-amino-1H-imidazol-5-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methyl-1H-imidazol-5-yl)pyridazin-3-amine
CID 158008180
2-fluoro-5-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzonitrile
CID 67452272
5-(3-amino-1H-indazol-5-yl)-N-ethyl-1,3,4-oxadiazol-2-amine
CID 25108868
5-[2-(benzylamino)-4-pyridinyl]-1H-indazol-3-amine
CID 172571090
N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(3-isocyanophenyl)pyridazin-3-amine
CID 140812284
6-(4-fluorophenyl)-1,2,4-triazin-3-amine
CID 67224067
1-[4-(3-amino-1H-indazol-5-yl)phenoxy]-4,4-dimethylpentan-2-one
CID 70998413
6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide
CID 174677203

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-triazin-6-yl]-1H-indazol-3-amine?
The IUPAC name of 5-[3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-triazin-6-yl]-1H-indazol-3-amine (CID 54590833) is 5-[3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-triazin-6-yl]-1H-indazol-3-amine.
What is the SMILES notation for 5-[3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-triazin-6-yl]-1H-indazol-3-amine?
The canonical SMILES for 5-[3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-triazin-6-yl]-1H-indazol-3-amine is CC(C)(CNc1ncc(-c2ccc3[nH]nc(N)c3c2)nn1)c1ccc(F)cc1.
What is the InChIKey of 5-[3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-triazin-6-yl]-1H-indazol-3-amine?
The InChIKey is HYZZYNJWAHOEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7/c1-20(2,13-4-6-14(21)7-5-13)11-24-19-23-10-17(26-28-19)12-3-8-16-15(9-12)18(22)27-25-16/h3-10H,11H2,1-2H3,(H3,22,25,27)(H,23,24,28).
What are the key properties of 5-[3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-triazin-6-yl]-1H-indazol-3-amine?
5-[3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-triazin-6-yl]-1H-indazol-3-amine has a molecular weight of 377.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-triazin-6-yl]-1H-indazol-3-amine is sourced from PubChem (CID 54590833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).