N-[4-(difluoromethoxy)phenyl]-5-[2-(1H-indazol-5-yl)ethyl]-4-methyl-1,2,4-triazol-3-amine

C19H18F2N6O — CID 71542038

IUPACN-[4-(difluoromethoxy)phenyl]-5-[2-(1H-indazol-5-yl)ethyl]-4-methyl-1,2,4-triazol-3-amine
SMILESCn1c(CCc2ccc3[nH]ncc3c2)nnc1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H18F2N6O/c1-27-17(9-3-12-2-8-16-13(10-12)11-22-24-16)25-26-19(27)23-14-4-6-15(7-5-14)28-18(20)21/h2,4-8,10-11,18H,3,9H2,1H3,(H,22,24)(H,23,26)
InChIKeyFHEAQGNIQVNSLS-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.82
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-5-[2-(1H-indazol-5-yl)ethyl]-4-methyl-1,2,4-triazol-3-amine

N-[4-(difluoromethoxy)phenyl]-5-[2-(1H-indazol-5-yl)ethyl]-4-methyl-1,2,4-triazol-3-amine (PubChem CID 71542038) has the molecular formula C19H18F2N6O and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-5-[2-(1H-indazol-5-yl)ethyl]-4-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-5-[2-(1H-indazol-5-yl)ethyl]-4-methyl-1,2,4-triazol-3-amine
PubChem CID71542038
Molecular FormulaC19H18F2N6O
Molecular Weight384.39 g/mol
Exact Mass384.15
IUPAC NameN-[4-(difluoromethoxy)phenyl]-5-[2-(1H-indazol-5-yl)ethyl]-4-methyl-1,2,4-triazol-3-amine
SMILESCn1c(CCc2ccc3[nH]ncc3c2)nnc1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H18F2N6O/c1-27-17(9-3-12-2-8-16-13(10-12)11-22-24-16)25-26-19(27)23-14-4-6-15(7-5-14)28-18(20)21/h2,4-8,10-11,18H,3,9H2,1H3,(H,22,24)(H,23,26)
InChIKeyFHEAQGNIQVNSLS-UHFFFAOYSA-N
XLogP3.82
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(difluoromethoxy)phenyl]-5-[2-(1H-indazol-5-yl)ethyl]-4-methyl-1,2,4-triazol-3-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

3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-5-methoxy-1H-indole
CID 142471801
4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
CID 57403377
5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11237028
6-(1H-indol-5-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 49781219
4-N-(2,3-dimethylindazol-6-yl)-4-N-methyl-2-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 54672931
4-N-methyl-4-N-(2-methylindazol-6-yl)-2-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 56649403
6-(1H-indazol-6-yl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473273
N-(4-methoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 68290849
N-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-1H-indazol-5-amine
CID 72725512
3-(2-(4-(4H-1,2,4-triazol-4-yl)piperidin-1-yl)pyridin-4-yl)-5-isopropoxy-1H-indazole
CID 90400705
3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135223478
3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227299

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-[2-(1H-indazol-5-yl)ethyl]-4-methyl-1,2,4-triazol-3-amine?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-[2-(1H-indazol-5-yl)ethyl]-4-methyl-1,2,4-triazol-3-amine (CID 71542038) is N-[4-(difluoromethoxy)phenyl]-5-[2-(1H-indazol-5-yl)ethyl]-4-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-5-[2-(1H-indazol-5-yl)ethyl]-4-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-5-[2-(1H-indazol-5-yl)ethyl]-4-methyl-1,2,4-triazol-3-amine is Cn1c(CCc2ccc3[nH]ncc3c2)nnc1Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-5-[2-(1H-indazol-5-yl)ethyl]-4-methyl-1,2,4-triazol-3-amine?
The InChIKey is FHEAQGNIQVNSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O/c1-27-17(9-3-12-2-8-16-13(10-12)11-22-24-16)25-26-19(27)23-14-4-6-15(7-5-14)28-18(20)21/h2,4-8,10-11,18H,3,9H2,1H3,(H,22,24)(H,23,26).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-5-[2-(1H-indazol-5-yl)ethyl]-4-methyl-1,2,4-triazol-3-amine?
N-[4-(difluoromethoxy)phenyl]-5-[2-(1H-indazol-5-yl)ethyl]-4-methyl-1,2,4-triazol-3-amine has a molecular weight of 384.39 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-5-[2-(1H-indazol-5-yl)ethyl]-4-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 71542038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).