N-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C24H26N6 — CID 119127493

IUPACN-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCc1ccc(-c2nn(-c3ccccc3)cc2CNC2CCc3ncnn3C2)cc1
InChIInChI=1S/C24H26N6/c1-2-18-8-10-19(11-9-18)24-20(15-29(28-24)22-6-4-3-5-7-22)14-25-21-12-13-23-26-17-27-30(23)16-21/h3-11,15,17,21,25H,2,12-14,16H2,1H3
InChIKeyXMHKGFKXZQCCNF-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.80
Rot. Bonds6

About N-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

N-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 119127493) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound NameN-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID119127493
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC NameN-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCc1ccc(-c2nn(-c3ccccc3)cc2CNC2CCc3ncnn3C2)cc1
InChIInChI=1S/C24H26N6/c1-2-18-8-10-19(11-9-18)24-20(15-29(28-24)22-6-4-3-5-7-22)14-25-21-12-13-23-26-17-27-30(23)16-21/h3-11,15,17,21,25H,2,12-14,16H2,1H3
InChIKeyXMHKGFKXZQCCNF-UHFFFAOYSA-N
XLogP3.80
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6R)-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291237
(6S)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95323257
(6R)-N-[(1-phenyltriazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95313962
(6S)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95295052
(3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine
CID 96998820
(6R)-N-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291895
(6S)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95322037
N-[(5-phenylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119124106
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine
CID 119125462
(6S)-N-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291269
2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol
CID 71688046
(6S)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291259

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of N-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 119127493) is N-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for N-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for N-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is CCc1ccc(-c2nn(-c3ccccc3)cc2CNC2CCc3ncnn3C2)cc1.
What is the InChIKey of N-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is XMHKGFKXZQCCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c1-2-18-8-10-19(11-9-18)24-20(15-29(28-24)22-6-4-3-5-7-22)14-25-21-12-13-23-26-17-27-30(23)16-21/h3-11,15,17,21,25H,2,12-14,16H2,1H3.
What are the key properties of N-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
N-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 398.51 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 119127493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).