5-fluoro-N-methyl-N-(2H-tetrazol-5-ylmethyl)quinazolin-4-amine

C11H10FN7 — CID 86777570

IUPAC5-fluoro-N-methyl-N-(2H-tetrazol-5-ylmethyl)quinazolin-4-amine
SMILESCN(Cc1nn[nH]n1)c1ncnc2cccc(F)c12
InChIInChI=1S/C11H10FN7/c1-19(5-9-15-17-18-16-9)11-10-7(12)3-2-4-8(10)13-6-14-11/h2-4,6H,5H2,1H3,(H,15,16,17,18)
InChIKeyQNWINZLRERIWRZ-UHFFFAOYSA-N
MW259.25 g/mol
LogP0.92
Rot. Bonds3

About 5-fluoro-N-methyl-N-(2H-tetrazol-5-ylmethyl)quinazolin-4-amine

5-fluoro-N-methyl-N-(2H-tetrazol-5-ylmethyl)quinazolin-4-amine (PubChem CID 86777570) has the molecular formula C11H10FN7 and a molecular weight of 259.25 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-(2H-tetrazol-5-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-(2H-tetrazol-5-ylmethyl)quinazolin-4-amine
PubChem CID86777570
Molecular FormulaC11H10FN7
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC Name5-fluoro-N-methyl-N-(2H-tetrazol-5-ylmethyl)quinazolin-4-amine
SMILESCN(Cc1nn[nH]n1)c1ncnc2cccc(F)c12
InChIInChI=1S/C11H10FN7/c1-19(5-9-15-17-18-16-9)11-10-7(12)3-2-4-8(10)13-6-14-11/h2-4,6H,5H2,1H3,(H,15,16,17,18)
InChIKeyQNWINZLRERIWRZ-UHFFFAOYSA-N
XLogP0.92
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-(2H-tetrazol-5-ylmethyl)quinazolin-4-amine?
The IUPAC name of 5-fluoro-N-methyl-N-(2H-tetrazol-5-ylmethyl)quinazolin-4-amine (CID 86777570) is 5-fluoro-N-methyl-N-(2H-tetrazol-5-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 5-fluoro-N-methyl-N-(2H-tetrazol-5-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 5-fluoro-N-methyl-N-(2H-tetrazol-5-ylmethyl)quinazolin-4-amine is CN(Cc1nn[nH]n1)c1ncnc2cccc(F)c12.
What is the InChIKey of 5-fluoro-N-methyl-N-(2H-tetrazol-5-ylmethyl)quinazolin-4-amine?
The InChIKey is QNWINZLRERIWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN7/c1-19(5-9-15-17-18-16-9)11-10-7(12)3-2-4-8(10)13-6-14-11/h2-4,6H,5H2,1H3,(H,15,16,17,18).
What are the key properties of 5-fluoro-N-methyl-N-(2H-tetrazol-5-ylmethyl)quinazolin-4-amine?
5-fluoro-N-methyl-N-(2H-tetrazol-5-ylmethyl)quinazolin-4-amine has a molecular weight of 259.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-(2H-tetrazol-5-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 86777570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).