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

C17H13FN6 — CID 70839672

IUPAC2-[2-(fluoromethyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine
SMILESFCc1ccccc1-c1nc(Nc2ncn[nH]2)c2ccccc2n1
InChIInChI=1S/C17H13FN6/c18-9-11-5-1-2-6-12(11)15-21-14-8-4-3-7-13(14)16(22-15)23-17-19-10-20-24-17/h1-8,10H,9H2,(H2,19,20,21,22,23,24)
InChIKeyDKGSWBCDEHMZGO-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.63
Rot. Bonds4

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

2-[2-(fluoromethyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine (PubChem CID 70839672) has the molecular formula C17H13FN6 and a molecular weight of 320.33 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[2-(fluoromethyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine
PubChem CID70839672
Molecular FormulaC17H13FN6
Molecular Weight320.33 g/mol
Exact Mass320.12
IUPAC Name2-[2-(fluoromethyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine
SMILESFCc1ccccc1-c1nc(Nc2ncn[nH]2)c2ccccc2n1
InChIInChI=1S/C17H13FN6/c18-9-11-5-1-2-6-12(11)15-21-14-8-4-3-7-13(14)16(22-15)23-17-19-10-20-24-17/h1-8,10H,9H2,(H2,19,20,21,22,23,24)
InChIKeyDKGSWBCDEHMZGO-UHFFFAOYSA-N
XLogP3.63
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine?
The IUPAC name of 2-[2-(fluoromethyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine (CID 70839672) is 2-[2-(fluoromethyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for 2-[2-(fluoromethyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine?
The canonical SMILES for 2-[2-(fluoromethyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine is FCc1ccccc1-c1nc(Nc2ncn[nH]2)c2ccccc2n1.
What is the InChIKey of 2-[2-(fluoromethyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine?
The InChIKey is DKGSWBCDEHMZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6/c18-9-11-5-1-2-6-12(11)15-21-14-8-4-3-7-13(14)16(22-15)23-17-19-10-20-24-17/h1-8,10H,9H2,(H2,19,20,21,22,23,24).
What are the key properties of 2-[2-(fluoromethyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine?
2-[2-(fluoromethyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine has a molecular weight of 320.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 70839672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).