N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

C19H15F3N6O — CID 10179090

IUPACN-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCOCc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)n[nH]1
InChIInChI=1S/C19H15F3N6O/c1-29-10-15-24-18(28-27-15)26-17-12-7-3-5-9-14(12)23-16(25-17)11-6-2-4-8-13(11)19(20,21)22/h2-9H,10H2,1H3,(H2,23,24,25,26,27,28)
InChIKeyNTXFNRASDQCYNN-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.32
Rot. Bonds5

About N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 10179090) has the molecular formula C19H15F3N6O and a molecular weight of 400.36 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID10179090
Molecular FormulaC19H15F3N6O
Molecular Weight400.36 g/mol
Exact Mass400.13
IUPAC NameN-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCOCc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)n[nH]1
InChIInChI=1S/C19H15F3N6O/c1-29-10-15-24-18(28-27-15)26-17-12-7-3-5-9-14(12)23-16(25-17)11-6-2-4-8-13(11)19(20,21)22/h2-9H,10H2,1H3,(H2,23,24,25,26,27,28)
InChIKeyNTXFNRASDQCYNN-UHFFFAOYSA-N
XLogP4.32
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-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

N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine
CID 11955437
N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 10116278
2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine
CID 10268483
2-[3-[[2-[2-(fluoromethyl)phenyl]quinazolin-4-yl]amino]-1H-1,2,4-triazol-5-yl]acetonitrile
CID 70839651
N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(fluoromethyl)phenyl]quinazolin-4-amine
CID 70839731
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine
CID 10199665
N-[(4-pyridin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 50898222
N-(2-methylsulfanyl-4,5-dihydropyrimidin-6-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 142127517
N-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine
CID 59213016
N-(2-ethyl-3-thiophen-2-yl-2H-pyrrol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 142126102
N-(2-thiophen-2-ylethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 166632975
6-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1a,2-dihydro-1H-cyclopropa[b]quinolin-7-amine
CID 142128073

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 10179090) is N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is COCc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)n[nH]1.
What is the InChIKey of N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is NTXFNRASDQCYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O/c1-29-10-15-24-18(28-27-15)26-17-12-7-3-5-9-14(12)23-16(25-17)11-6-2-4-8-13(11)19(20,21)22/h2-9H,10H2,1H3,(H2,23,24,25,26,27,28).
What are the key properties of N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 400.36 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 10179090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).