5-methyl-6-[[3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H14F3N7 — CID 155792426

IUPAC5-methyl-6-[[3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(C(F)(F)F)c(-c2ccn[nH]2)c1
InChIInChI=1S/C17H14F3N7/c1-9-11(15(21)27-16(25-9)22-8-24-27)6-10-2-3-13(17(18,19)20)12(7-10)14-4-5-23-26-14/h2-5,7-8H,6,21H2,1H3,(H,23,26)
InChIKeyRQVMKHSJXFBKJU-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.01
Rot. Bonds3

About 5-methyl-6-[[3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-6-[[3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 155792426) has the molecular formula C17H14F3N7 and a molecular weight of 373.34 g/mol. Its IUPAC name is 5-methyl-6-[[3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-6-[[3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID155792426
Molecular FormulaC17H14F3N7
Molecular Weight373.34 g/mol
Exact Mass373.13
IUPAC Name5-methyl-6-[[3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(C(F)(F)F)c(-c2ccn[nH]2)c1
InChIInChI=1S/C17H14F3N7/c1-9-11(15(21)27-16(25-9)22-8-24-27)6-10-2-3-13(17(18,19)20)12(7-10)14-4-5-23-26-14/h2-5,7-8H,6,21H2,1H3,(H,23,26)
InChIKeyRQVMKHSJXFBKJU-UHFFFAOYSA-N
XLogP3.01
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ly-2584702
CID 25118925
Decoglurant
CID 71533696
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
CID 138105936
CID 138105936
Pyrazolo[1,5-b]pyridazine deriv. 78
CID 6539420
3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11543481
Pyrazole 79
CID 23647348
4-Ethyl-6-[5-(1h-Pyrazol-4-Yl)-1h-Pyrrolo[2,3-B]pyridin-3-Yl]pyrimidin-2-Amine
CID 25165773
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
(R)-1-(4-Methyl-5-(6-(trifluoromethyl)-1H-indazol-4-yl)pyrimidin-2-yl)pyrrolidin-3-ol
CID 89794927
2-methyl-2-[3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butan-1-amine
CID 57969605
2-methyl-2-(3-(3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl)butan-1-amine
CID 57969770

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[[3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-6-[[3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 155792426) is 5-methyl-6-[[3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-6-[[3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-6-[[3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(N)c1Cc1ccc(C(F)(F)F)c(-c2ccn[nH]2)c1.
What is the InChIKey of 5-methyl-6-[[3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RQVMKHSJXFBKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N7/c1-9-11(15(21)27-16(25-9)22-8-24-27)6-10-2-3-13(17(18,19)20)12(7-10)14-4-5-23-26-14/h2-5,7-8H,6,21H2,1H3,(H,23,26).
What are the key properties of 5-methyl-6-[[3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-6-[[3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 373.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[[3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 155792426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).