N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

C16H12FN5 — CID 22432584

IUPACN-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCc1nnc2c3ccccc3nc(Nc3cccc(F)c3)n12
InChIInChI=1S/C16H12FN5/c1-10-20-21-15-13-7-2-3-8-14(13)19-16(22(10)15)18-12-6-4-5-11(17)9-12/h2-9H,1H3,(H,18,19)
InChIKeyPVEGKFQKTODQOK-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.47
Rot. Bonds2

About N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (PubChem CID 22432584) has the molecular formula C16H12FN5 and a molecular weight of 293.31 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
PubChem CID22432584
Molecular FormulaC16H12FN5
Molecular Weight293.31 g/mol
Exact Mass293.11
IUPAC NameN-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCc1nnc2c3ccccc3nc(Nc3cccc(F)c3)n12
InChIInChI=1S/C16H12FN5/c1-10-20-21-15-13-7-2-3-8-14(13)19-16(22(10)15)18-12-6-4-5-11(17)9-12/h2-9H,1H3,(H,18,19)
InChIKeyPVEGKFQKTODQOK-UHFFFAOYSA-N
XLogP3.47
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 15990164
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one
CID 36791909
N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003222
3-fluoro-N-phenylaniline
CID 2774466
1-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 45106063
2-[2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetamide
CID 24523688
2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91964242
6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112877001
N-(2-chloro-4-methylphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 20927463
methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435333
methyl 4-[(3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate
CID 20927479
5-amino-6-(3-fluoroanilino)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 25068227

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The IUPAC name of N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (CID 22432584) is N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.
What is the SMILES notation for N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The canonical SMILES for N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is Cc1nnc2c3ccccc3nc(Nc3cccc(F)c3)n12.
What is the InChIKey of N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The InChIKey is PVEGKFQKTODQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5/c1-10-20-21-15-13-7-2-3-8-14(13)19-16(22(10)15)18-12-6-4-5-11(17)9-12/h2-9H,1H3,(H,18,19).
What are the key properties of N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine has a molecular weight of 293.31 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is sourced from PubChem (CID 22432584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).