6-(1H-indazol-6-yl)-2-N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-1,3,5-triazine-2,4-diamine

C19H17F3N8 — CID 166164105

IUPAC6-(1H-indazol-6-yl)-2-N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)(Nc1nc(N)nc(-c2ccc3cn[nH]c3c2)n1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H17F3N8/c1-18(2,13-4-3-5-14(25-13)19(20,21)22)29-17-27-15(26-16(23)28-17)10-6-7-11-9-24-30-12(11)8-10/h3-9H,1-2H3,(H,24,30)(H3,23,26,27,28,29)
InChIKeyIMPFGHRZJLQSFM-UHFFFAOYSA-N
MW414.40 g/mol
LogP3.76
Rot. Bonds4

About 6-(1H-indazol-6-yl)-2-N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-1,3,5-triazine-2,4-diamine

6-(1H-indazol-6-yl)-2-N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 166164105) has the molecular formula C19H17F3N8 and a molecular weight of 414.40 g/mol. Its IUPAC name is 6-(1H-indazol-6-yl)-2-N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1H-indazol-6-yl)-2-N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID166164105
Molecular FormulaC19H17F3N8
Molecular Weight414.40 g/mol
Exact Mass414.15
IUPAC Name6-(1H-indazol-6-yl)-2-N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)(Nc1nc(N)nc(-c2ccc3cn[nH]c3c2)n1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H17F3N8/c1-18(2,13-4-3-5-14(25-13)19(20,21)22)29-17-27-15(26-16(23)28-17)10-6-7-11-9-24-30-12(11)8-10/h3-9H,1-2H3,(H,24,30)(H3,23,26,27,28,29)
InChIKeyIMPFGHRZJLQSFM-UHFFFAOYSA-N
XLogP3.76
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 167249982
2-N-[(2,3-difluorophenyl)methyl]-6-(1H-indazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 167249785
6-(1-methylindazol-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 171803198
2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(1-methylindazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 171803216
6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 171803174
6-(3-aminoimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 171803200
N-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine
CID 121377327
N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide
CID 63194069
N-[3-(1H-indazol-6-yl)-4-methoxyphenyl]-3-(trifluoromethyl)benzamide
CID 155536159
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine
CID 5333527
hydron;5-(1H-indazol-6-yl)pyrimidine-2,4-diamine;chloride
CID 69058745

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-6-yl)-2-N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1H-indazol-6-yl)-2-N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-1,3,5-triazine-2,4-diamine (CID 166164105) is 6-(1H-indazol-6-yl)-2-N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1H-indazol-6-yl)-2-N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1H-indazol-6-yl)-2-N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-1,3,5-triazine-2,4-diamine is CC(C)(Nc1nc(N)nc(-c2ccc3cn[nH]c3c2)n1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 6-(1H-indazol-6-yl)-2-N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is IMPFGHRZJLQSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N8/c1-18(2,13-4-3-5-14(25-13)19(20,21)22)29-17-27-15(26-16(23)28-17)10-6-7-11-9-24-30-12(11)8-10/h3-9H,1-2H3,(H,24,30)(H3,23,26,27,28,29).
What are the key properties of 6-(1H-indazol-6-yl)-2-N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-1,3,5-triazine-2,4-diamine?
6-(1H-indazol-6-yl)-2-N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 414.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-6-yl)-2-N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 166164105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).